============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 112.531 66.562 -14.267 -99.200 -91.000 PHE 5 1.000 112.307 73.586 -21.356 -99.200 -91.000 TYR 28 0.840 126.544 77.989 2.439 -99.200 -91.000 TYR 44 0.840 144.478 83.705 6.591 -99.200 -91.000 TYR 48 0.840 150.037 86.218 12.420 -99.200 -91.000 TYR 50 0.840 151.068 74.699 13.192 -99.200 -91.000 HIS 51 0.900 154.995 82.703 8.462 -99.200 -91.000 PHE 54 1.000 160.479 80.356 9.457 -99.200 -91.000 TYR 56 0.840 161.925 79.758 20.358 -99.200 -91.000 PHE 57 1.000 161.231 75.471 17.796 -99.200 -91.000 PHE 70 1.000 155.845 69.840 11.655 -99.200 -91.000 PHE 71 1.000 156.596 73.775 14.701 -99.200 -91.000 HIS 81 0.900 144.858 72.255 6.132 -99.200 -91.000 TYR 88 0.840 131.705 74.157 0.699 -99.200 -91.000 PHE 108 1.000 156.033 79.417 20.149 -99.200 -91.000 HIS 110 0.900 158.140 73.707 29.329 -99.200 -91.000 HIS 118 0.900 156.033 74.746 25.272 -99.200 -91.000 HIS 138 0.900 129.876 66.205 9.987 -99.200 -91.000 PHE 152 1.000 134.777 71.848 1.720 -99.200 -91.000 TYR 157 0.840 138.982 71.589 5.434 -99.200 -91.000 TYR 171 0.840 156.811 64.742 13.257 -99.200 -91.000 HIS 182 0.900 174.184 62.827 19.889 -99.200 -91.000 TRP 185 1.040 172.031 68.736 16.055 -99.200 -91.000 TRP6 185 1.020 173.184 66.975 14.991 -99.200 -91.000 HIS 186 0.900 170.282 60.852 15.340 -99.200 -91.000 PHE 187 1.000 161.848 64.592 16.081 -99.200 -91.000 HIS 193 0.900 168.749 65.951 6.102 -99.200 -91.000