MOR 95
MOR 95
Z-(Aib)2-(alphaMe)Phg-(Aib)2-tBu
PDB Coordinates
REMA Input SHELXS/L INS file: mor95.pdb
REMA Parameters were exchanged from INS file to PDB format at 27-JAN-97
REMA TITL MOR95:Z-(Aib)2-L-(aMe)Phg-(Aib)2-OtBu C37H53N5O8 P21212 Z=8 / SnB
REMA CELL 1.54 15.79650 43.75930 11.62190 90. 90. 90.
REMA ZERR 8 .0041 .0124 .0029 .0 .0 .0
REMA LATT -1
REMA SYMM -X,-Y,Z
REMA SYMM 0.5+X,0.5-Y,-Z
REMA SYMM 0.5-X,0.5+Y,-Z
REMA SFAC C H N O
REMA UNIT 296 424 40 64
REMA WGHT 0.116000 38.058899
REMA FVAR 0.89009
REMA
ATOM 1 C1 CBZ 0 13.5253 36.1973 13.4879 1.00 5.91
ATOM 2 C2 CBZ 0 12.6434 36.2161 14.5141 1.00 7.21
ATOM 3 H2 CBZ 0 12.8966 36.6134 15.3160 1.00 3.95
ATOM 4 C3 CBZ 0 11.4027 35.6761 14.4139 1.00 8.07
ATOM 5 H3 CBZ 0 10.8445 35.6336 15.1566 1.00 3.95
ATOM 6 C4 CBZ 0 11.0092 35.2214 13.2685 1.00 10.99
ATOM 7 H4 CBZ 0 10.1429 34.8945 13.1817 1.00 3.95
ATOM 8 C5 CBZ 0 11.9069 35.2109 12.0958 1.00 9.34
ATOM 9 H5 CBZ 0 11.6245 34.8757 11.2757 1.00 3.95
ATOM 10 C6 CBZ 0 13.1059 35.6870 12.2518 1.00 7.27
ATOM 11 H6 CBZ 0 13.6946 35.6892 11.5321 1.00 3.95
ATOM 12 C7 CBZ 0 14.9019 36.7473 13.6033 1.00 7.95
ATOM 13 H7A CBZ 0 15.3484 36.3154 14.3483 1.00 3.95
ATOM 14 H7B CBZ 0 15.3943 36.5254 12.7973 1.00 3.95
ATOM 15 O7 CBZ 0 14.9530 38.1769 13.7987 1.00 6.76
ATOM 16 C8 CBZ 0 14.8650 38.8793 12.7013 1.00 6.39
ATOM 17 O8 CBZ 0 15.0060 38.4434 11.5639 1.00 6.38
ATOM 18 N AIB 1 14.6457 40.1859 12.9814 1.00 5.88
ATOM 19 H0 AIB 1 14.5092 40.4157 13.7988 1.00 3.95
ATOM 20 CA AIB 1 14.6321 41.2068 11.9647 1.00 5.21
ATOM 21 CB1 AIB 1 16.0319 41.4339 11.3914 1.00 8.40
ATOM 22 HBA AIB 1 16.0075 42.1630 10.7672 1.00 3.95
ATOM 23 HBB AIB 1 16.3271 40.6379 10.9429 1.00 3.95
ATOM 24 HBC AIB 1 16.6396 41.6435 12.1046 1.00 3.95
ATOM 25 CB2 AIB 1 14.1666 42.5607 12.6387 1.00 6.52
ATOM 26 H2A AIB 1 14.0908 43.2425 11.9674 1.00 3.95
ATOM 27 H2B AIB 1 14.8122 42.8290 13.2964 1.00 3.95
ATOM 28 H2C AIB 1 13.3142 42.4312 13.0612 1.00 3.95
ATOM 29 C AIB 1 13.5881 40.9049 10.9003 1.00 5.29
ATOM 30 O AIB 1 13.7809 41.2913 9.7179 1.00 6.43
ATOM 31 N AIB 2 12.5494 40.2135 11.2802 1.00 4.83
ATOM 32 H0 AIB 2 12.5249 39.9466 12.0975 1.00 3.95
ATOM 33 CA AIB 2 11.3872 39.8477 10.3888 1.00 5.46
ATOM 34 CB1 AIB 2 10.5780 41.0725 10.0145 1.00 8.16
ATOM 35 HBA AIB 2 10.2500 40.9771 9.1173 1.00 3.95
ATOM 36 HBB AIB 2 11.1340 41.8527 10.0708 1.00 3.95
ATOM 37 HBC AIB 2 9.8370 41.1631 10.6181 1.00 3.95
ATOM 38 CB2 AIB 2 10.5451 38.9178 11.1986 1.00 6.54
ATOM 39 H2A AIB 2 11.1035 38.4272 11.8065 1.00 3.95
ATOM 40 H2B AIB 2 10.0929 38.3047 10.6143 1.00 3.95
ATOM 41 H2C AIB 2 9.8975 39.4228 11.6956 1.00 3.95
ATOM 42 C AIB 2 11.8755 39.1269 9.1381 1.00 5.35
ATOM 43 O AIB 2 11.3052 39.3239 8.0456 1.00 5.41
ATOM 44 N PHG 3 13.0226 38.4211 9.2173 1.00 4.21
ATOM 45 H0 PHG 3 13.4626 38.4600 9.9553 1.00 3.95
ATOM 46 CA PHG 3 13.5719 37.5997 8.1516 1.00 4.88
ATOM 47 CB2 PHG 3 14.9650 37.1600 8.6266 1.00 5.86
ATOM 48 HBA PHG 3 15.3164 36.5023 8.0219 1.00 3.95
ATOM 49 HBB PHG 3 14.8985 36.7823 9.5067 1.00 3.95
ATOM 50 HBC PHG 3 15.5505 37.9205 8.6482 1.00 3.95
ATOM 51 CB1 PHG 3 12.6388 36.4336 7.7957 1.00 4.88
ATOM 52 CG1 PHG 3 11.5370 36.5683 6.9340 1.00 5.91
ATOM 53 HG1 PHG 3 11.3888 37.3945 6.5336 1.00 3.95
ATOM 54 CD1 PHG 3 10.6806 35.5588 6.6564 1.00 7.77
ATOM 55 HD1 PHG 3 9.9802 35.6721 6.0551 1.00 3.95
ATOM 56 CE PHG 3 10.8868 34.3432 7.3048 1.00 7.88
ATOM 57 HE PHG 3 10.3006 33.6439 7.1246 1.00 3.95
ATOM 58 CD2 PHG 3 11.8646 34.1301 8.1572 1.00 10.97
ATOM 59 HD2 PHG 3 11.9624 33.3175 8.5992 1.00 3.95
ATOM 60 CG2 PHG 3 12.7912 35.2429 8.3718 1.00 8.03
ATOM 61 HG2 PHG 3 13.5190 35.1125 8.9360 1.00 3.95
ATOM 62 C PHG 3 13.8393 38.4972 6.8788 1.00 4.70
ATOM 63 O PHG 3 13.9101 38.0413 5.7714 1.00 6.90
ATOM 64 N AIB 4 14.1067 39.7750 7.1561 1.00 5.61
ATOM 65 H0 AIB 4 14.0467 40.0520 7.9679 1.00 3.95
ATOM 66 CA AIB 4 14.5073 40.7294 6.0855 1.00 5.47
ATOM 67 CB1 AIB 4 15.8072 40.2612 5.4546 1.00 8.29
ATOM 68 H1A AIB 4 16.5396 40.4686 6.0396 1.00 3.95
ATOM 69 H1B AIB 4 15.9333 40.7066 4.6137 1.00 3.95
ATOM 70 H1C AIB 4 15.7703 39.3129 5.3120 1.00 3.95
ATOM 71 CB2 AIB 4 14.6402 42.0934 6.6993 1.00 8.46
ATOM 72 HBA AIB 4 13.7712 42.4207 6.9428 1.00 3.95
ATOM 73 HBB AIB 4 15.0417 42.6920 6.0652 1.00 3.95
ATOM 74 HBC AIB 4 15.1928 42.0391 7.4825 1.00 3.95
ATOM 75 C AIB 4 13.4008 40.8694 5.0293 1.00 5.40
ATOM 76 O AIB 4 13.6607 41.2265 3.8807 1.00 5.95
ATOM 77 N AIB 5 12.1753 40.6003 5.4181 1.00 5.77
ATOM 78 H0 AIB 5 12.0440 40.3168 6.2193 1.00 3.95
ATOM 79 CA AIB 5 11.0144 40.7710 4.5175 1.00 7.29
ATOM 80 CB1 AIB 5 10.9789 39.6227 3.4812 1.00 9.72
ATOM 81 H1A AIB 5 10.5844 39.9400 2.6656 1.00 3.95
ATOM 82 H1B AIB 5 10.4568 38.8950 3.8276 1.00 3.95
ATOM 83 H1C AIB 5 11.8734 39.3204 3.3078 1.00 3.95
ATOM 84 CB2 AIB 5 9.7637 40.7574 5.3768 1.00 9.44
ATOM 85 HBA AIB 5 8.9882 40.8187 4.8141 1.00 3.95
ATOM 86 HBB AIB 5 9.7815 41.5044 5.9797 1.00 3.95
ATOM 87 HBC AIB 5 9.7300 39.9404 5.8800 1.00 3.95
ATOM 88 C AIB 5 11.0436 42.1525 3.8302 1.00 8.02
ATOM 89 O AIB 5 10.7111 42.2881 2.6683 1.00 15.30
ATOM 90 C1 TBU 6 11.4754 44.5566 4.3438 1.00 17.58
ATOM 91 O1 TBU 6 11.3920 43.0950 4.6963 1.00 10.25
ATOM 92 C2 TBU 6 10.0488 45.1228 4.1713 1.00 19.52
ATOM 93 H2A TBU 6 10.0191 45.6838 3.3929 1.00 3.95
ATOM 94 H2B TBU 6 9.8133 45.6379 4.9463 1.00 3.95
ATOM 95 H2C TBU 6 9.4275 44.3982 4.0677 1.00 3.95
ATOM 96 C3 TBU 6 12.4655 44.7785 3.2145 1.00 18.10
ATOM 97 H3A TBU 6 12.0121 44.7014 2.3718 1.00 3.95
ATOM 98 H3B TBU 6 13.1613 44.1190 3.2649 1.00 3.95
ATOM 99 H3C TBU 6 12.8490 45.6549 3.2928 1.00 3.95
ATOM 100 C4 TBU 6 11.6845 45.1495 5.6070 1.00 28.21
ATOM 101 H4A TBU 6 11.6526 46.1052 5.5211 1.00 3.95
ATOM 102 H4B TBU 6 12.5437 44.8870 5.9454 1.00 3.95
ATOM 103 H4C TBU 6 10.9994 44.8598 6.2139 1.00 3.95
ATOM 104 C1 CBZ 10 15.2826 32.9433 11.4618 1.00 7.12
ATOM 105 C2 CBZ 10 16.0265 33.3739 10.4175 1.00 9.75
ATOM 106 H2 CBZ 10 15.7107 33.2649 9.5496 1.00 3.95
ATOM 107 C3 CBZ 10 17.2509 33.9747 10.6307 1.00 11.11
ATOM 108 H3 CBZ 10 17.7331 34.3677 9.9394 1.00 3.95
ATOM 109 C4 CBZ 10 17.7270 33.9572 11.9550 1.00 14.06
ATOM 110 H4 CBZ 10 18.6046 34.2224 12.1107 1.00 3.95
ATOM 111 C5 CBZ 10 16.9741 33.5748 13.0157 1.00 10.41
ATOM 112 H5 CBZ 10 17.2695 33.6649 13.8931 1.00 3.95
ATOM 113 C6 CBZ 10 15.7328 33.0400 12.7025 1.00 7.98
ATOM 114 H6 CBZ 10 15.1928 32.7355 13.3958 1.00 3.95
ATOM 115 C7 CBZ 10 13.8805 32.2747 11.2379 1.00 6.33
ATOM 116 H7A CBZ 10 13.2910 32.5132 11.9703 1.00 3.95
ATOM 117 H7B CBZ 10 13.4907 32.6142 10.4173 1.00 3.95
ATOM 118 O7 CBZ 10 13.9861 30.8030 11.1555 1.00 7.63
ATOM 119 C8 CBZ 10 14.2529 30.2561 9.9783 1.00 7.56
ATOM 120 O8 CBZ 10 14.0889 30.9260 8.9231 1.00 7.13
ATOM 121 N AIB 11 14.3187 28.9708 10.0245 1.00 5.63
ATOM 122 H0 AIB 11 14.0722 28.5866 10.7532 1.00 3.95
ATOM 123 CA AIB 11 14.7794 28.1189 8.9367 1.00 5.35
ATOM 124 CB1 AIB 11 16.1093 28.5407 8.4230 1.00 7.13
ATOM 125 HBA AIB 11 16.3129 28.0515 7.6223 1.00 3.95
ATOM 126 HBB AIB 11 16.7798 28.3622 9.0862 1.00 3.95
ATOM 127 HBC AIB 11 16.0936 29.4806 8.2285 1.00 3.95
ATOM 128 CB2 AIB 11 14.7462 26.7177 9.3990 1.00 7.95
ATOM 129 H2A AIB 11 14.9269 26.1326 8.6597 1.00 3.95
ATOM 130 H2B AIB 11 13.8786 26.5199 9.7590 1.00 3.95
ATOM 131 H2C AIB 11 15.4117 26.5895 10.0789 1.00 3.95
ATOM 132 C AIB 11 13.7586 28.2208 7.7570 1.00 5.10
ATOM 133 O AIB 11 14.1259 27.9469 6.6309 1.00 6.36
ATOM 134 N AIB 12 12.4961 28.5621 8.0510 1.00 5.00
ATOM 135 H0 AIB 12 12.3247 28.7945 8.8610 1.00 3.95
ATOM 136 CA AIB 12 11.4022 28.5683 7.1082 1.00 5.69
ATOM 137 CB1 AIB 12 11.1504 27.0686 6.6655 1.00 11.60
ATOM 138 HBA AIB 12 11.9540 26.7089 6.2827 1.00 3.95
ATOM 139 HBB AIB 12 10.4456 27.0415 6.0143 1.00 3.95
ATOM 140 HBC AIB 12 10.8993 26.5470 7.4312 1.00 3.95
ATOM 141 CB2 AIB 12 10.2339 29.2216 7.6918 1.00 14.67
ATOM 142 H2A AIB 12 9.4645 29.0505 7.1436 1.00 3.95
ATOM 143 H2B AIB 12 10.3876 30.1677 7.7413 1.00 3.95
ATOM 144 H2C AIB 12 10.0813 28.8755 8.5743 1.00 3.95
ATOM 145 C AIB 12 11.7528 29.3533 5.8374 1.00 4.70
ATOM 146 O AIB 12 11.2536 29.0435 4.7665 1.00 4.99
ATOM 147 N PHG 13 12.5721 30.4206 5.9769 1.00 4.33
ATOM 148 H0 PHG 13 12.8980 30.5851 6.7557 1.00 3.95
ATOM 149 CA PHG 13 12.9279 31.2962 4.8890 1.00 4.29
ATOM 150 CB2 PHG 13 11.6408 32.0248 4.3676 1.00 5.71
ATOM 151 H2A PHG 13 11.0182 31.3745 4.0340 1.00 3.95
ATOM 152 H2B PHG 13 11.8796 32.6304 3.6623 1.00 3.95
ATOM 153 H2C PHG 13 11.2368 32.5149 5.0874 1.00 3.95
ATOM 154 CB1 PHG 13 14.0252 32.2699 5.3173 1.00 3.36
ATOM 155 CD1 PHG 13 16.0646 32.6611 6.4743 1.00 5.13
ATOM 156 HD1 PHG 13 16.8010 32.3246 6.9319 1.00 3.95
ATOM 157 CG1 PHG 13 15.0479 31.7693 6.0572 1.00 4.40
ATOM 158 HG1 PHG 13 15.0793 30.8678 6.2831 1.00 3.95
ATOM 159 CE PHG 13 15.9954 33.9975 6.2250 1.00 5.77
ATOM 160 HE PHG 13 16.6511 34.5659 6.5594 1.00 3.95
ATOM 161 CG2 PHG 13 13.9674 33.6404 5.0689 1.00 4.53
ATOM 162 HG2 PHG 13 13.2386 33.9900 4.6090 1.00 3.95
ATOM 163 CD2 PHG 13 14.9825 34.4981 5.4974 1.00 6.90
ATOM 164 HD2 PHG 13 14.9580 35.4026 5.2825 1.00 3.95
ATOM 165 C PHG 13 13.5239 30.4455 3.6886 1.00 4.23
ATOM 166 O PHG 13 13.3085 30.8801 2.5582 1.00 5.57
ATOM 167 N AIB 14 14.2341 29.3712 3.9948 1.00 4.04
ATOM 168 H0 AIB 14 14.2939 29.1262 4.8169 1.00 3.95
ATOM 169 CA AIB 14 14.9198 28.5910 2.9629 1.00 4.21
ATOM 170 CB1 AIB 14 15.5708 27.4681 3.7062 1.00 5.27
ATOM 171 HBA AIB 14 15.8925 26.8148 3.0810 1.00 3.95
ATOM 172 HBB AIB 14 14.9310 27.0603 4.2945 1.00 3.95
ATOM 173 HBC AIB 14 16.3066 27.8090 4.2203 1.00 3.95
ATOM 174 CB2 AIB 14 15.9857 29.3358 2.2451 1.00 5.74
ATOM 175 H2A AIB 14 15.6104 30.1213 1.8404 1.00 3.95
ATOM 176 H2B AIB 14 16.3649 28.7752 1.5643 1.00 3.95
ATOM 177 H2C AIB 14 16.6710 29.5922 2.8667 1.00 3.95
ATOM 178 C AIB 14 13.8752 27.9176 2.0515 1.00 4.46
ATOM 179 O AIB 14 14.2873 27.5622 0.8936 1.00 5.89
ATOM 180 N AIB 15 12.6690 27.7473 2.4786 1.00 6.29
ATOM 181 H0 AIB 15 12.4685 28.0046 3.2744 1.00 3.95
ATOM 182 CA AIB 15 11.6136 27.1185 1.6359 1.00 6.45
ATOM 183 CB1 AIB 15 10.5442 26.6499 2.6103 1.00 11.79
ATOM 184 H1A AIB 15 10.5694 25.6928 2.6771 1.00 3.95
ATOM 185 H1B AIB 15 9.6806 26.9260 2.2946 1.00 3.95
ATOM 186 H1C AIB 15 10.7073 27.0354 3.4741 1.00 3.95
ATOM 187 CB2 AIB 15 11.1495 28.1578 0.6012 1.00 10.53
ATOM 188 H2A AIB 15 10.3405 27.8541 0.1829 1.00 3.95
ATOM 189 H2B AIB 15 11.8308 28.2724 -0.0653 1.00 3.95
ATOM 190 H2C AIB 15 10.9874 28.9962 1.0402 1.00 3.95
ATOM 191 C AIB 15 12.1502 25.8613 0.8858 1.00 6.06
ATOM 192 O AIB 15 11.8956 25.6141 -0.2600 1.00 8.25
ATOM 193 C1 TBU 16 13.3033 23.7582 1.2892 1.00 10.69
ATOM 194 O1 TBU 16 12.8250 25.1253 1.7313 1.00 7.97
ATOM 195 C2 TBU 16 14.1022 23.4112 2.5895 1.00 15.80
ATOM 196 H2A TBU 16 13.5918 23.6751 3.3586 1.00 3.95
ATOM 197 H2B TBU 16 14.9399 23.8799 2.5852 1.00 3.95
ATOM 198 H2C TBU 16 14.2647 22.4656 2.6224 1.00 3.95
ATOM 199 C3 TBU 16 12.1251 22.8472 0.9692 1.00 14.90
ATOM 200 H3A TBU 16 11.3776 23.0839 1.5232 1.00 3.95
ATOM 201 H3B TBU 16 12.3713 21.9348 1.1371 1.00 3.95
ATOM 202 H3C TBU 16 11.8835 22.9487 0.0456 1.00 3.95
ATOM 203 C4 TBU 16 14.3699 23.9573 0.1506 1.00 11.75
ATOM 204 H4A TBU 16 14.7261 23.1040 -0.1068 1.00 3.95
ATOM 205 H4B TBU 16 15.0806 24.5170 0.4722 1.00 3.95
ATOM 206 H4C TBU 16 13.9540 24.3726 -0.6084 1.00 3.95
END
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