============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 2 1.000 -5.482 26.501 53.817 -99.200 -91.000 HIS 7 0.900 -21.730 24.279 47.081 -99.200 -91.000 PHE 9 1.000 -11.137 27.746 47.787 -99.200 -91.000 PHE 29 1.000 -16.411 14.351 60.789 -99.200 -91.000 TYR 56 0.840 -26.394 16.201 58.755 -99.200 -91.000 PHE 64 1.000 -18.335 14.196 55.353 -99.200 -91.000 PHE 74 1.000 -4.073 22.462 49.676 -99.200 -91.000 HIS 76 0.900 1.894 18.465 43.672 -99.200 -91.000 TYR 98 0.840 -9.999 2.588 44.105 -99.200 -91.000 PHE 107 1.000 1.391 -1.287 49.037 -99.200 -91.000 HIS 111 0.900 2.858 -5.896 49.732 -99.200 -91.000 PHE 115 1.000 6.740 -2.526 47.740 -99.200 -91.000 TYR 133 0.840 0.296 23.393 44.903 -99.200 -91.000 TYR 139 0.840 -3.153 22.539 54.984 -99.200 -91.000 HIS 141 0.900 -1.376 16.847 56.704 -99.200 -91.000 PHE 162 1.000 -4.935 17.892 52.529 -99.200 -91.000 TRP 172 1.040 3.882 10.254 62.576 -99.200 -91.000 TRP6 172 1.020 2.724 8.802 64.039 -99.200 -91.000 TYR 180 0.840 7.113 27.835 71.294 -99.200 -91.000 PHE 183 1.000 1.378 22.226 65.585 -99.200 -91.000 TRP 190 1.040 10.088 16.068 64.229 -99.200 -91.000 TRP6 190 1.020 12.079 16.427 65.437 -99.200 -91.000 TYR 192 0.840 9.611 13.764 53.501 -99.200 -91.000 TRP 197 1.040 12.861 5.266 61.764 -99.200 -91.000 TRP6 197 1.020 11.147 3.992 62.763 -99.200 -91.000 TYR 202 0.840 9.904 -2.446 53.330 -99.200 -91.000 TYR 207 0.840 10.010 8.812 68.352 -99.200 -91.000 TRP 208 1.040 10.128 0.782 67.867 -99.200 -91.000 TRP6 208 1.020 11.949 2.119 68.577 -99.200 -91.000 TYR 223 0.840 19.182 9.373 74.047 -99.200 -91.000 TYR 236 0.840 19.824 7.417 61.042 -99.200 -91.000 TRP 243 1.040 13.487 13.207 62.488 -99.200 -91.000 TRP6 243 1.020 14.356 11.020 62.455 -99.200 -91.000 PHE 253 1.000 7.967 19.510 53.418 -99.200 -91.000