============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 11 0.900 36.878 65.764 24.785 -99.200 -91.000 PHE 21 1.000 45.217 80.524 31.170 -99.200 -91.000 PHE 30 1.000 40.967 75.497 20.429 -99.200 -91.000 PHE 41 1.000 36.703 75.262 23.777 -99.200 -91.000 PHE 49 1.000 40.842 85.023 18.222 -99.200 -91.000 TYR 50 0.840 40.578 74.300 15.540 -99.200 -91.000 PHE 51 1.000 47.284 76.811 12.702 -99.200 -91.000 HIS 52 0.900 42.543 70.481 11.382 -99.200 -91.000 PHE 64 1.000 48.979 77.183 17.957 -99.200 -91.000 TYR 67 0.840 44.854 81.605 13.476 -99.200 -91.000 TYR 95 0.840 63.623 54.891 15.394 -99.200 -91.000 PHE 98 1.000 60.077 55.578 21.982 -99.200 -91.000 TYR 100 0.840 52.080 61.264 15.552 -99.200 -91.000 TYR 110 0.840 63.827 72.985 21.965 -99.200 -91.000 PHE 136 1.000 57.222 62.025 38.253 -99.200 -91.000 TYR 145 0.840 51.007 58.878 28.379 -99.200 -91.000 HIS 157 0.900 65.136 69.408 35.313 -99.200 -91.000 TRP 176 1.040 40.506 57.865 35.697 -99.200 -91.000 TRP6 176 1.020 39.270 56.153 36.763 -99.200 -91.000 PHE 181 1.000 34.322 57.672 36.381 -99.200 -91.000 PHE 206 1.000 48.553 78.715 43.615 -99.200 -91.000 PHE 212 1.000 60.979 81.981 46.178 -99.200 -91.000 TYR 230 0.840 54.958 45.495 49.012 -99.200 -91.000 HIS 231 0.900 47.939 38.908 46.507 -99.200 -91.000 TRP 234 1.040 46.880 48.227 55.261 -99.200 -91.000 TRP6 234 1.020 45.326 49.203 56.741 -99.200 -91.000 TRP 236 1.040 45.065 48.605 46.676 -99.200 -91.000 TRP6 236 1.020 44.504 48.996 44.412 -99.200 -91.000 PHE 237 1.000 42.619 41.128 48.394 -99.200 -91.000 TYR 238 0.840 49.653 40.323 39.929 -99.200 -91.000