============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 15 1.000 21.287 15.142 37.888 -99.200 -91.000 TYR 21 0.840 19.247 -2.625 36.501 -99.200 -91.000 HIS 30 0.900 22.620 -4.539 34.775 -99.200 -91.000 TRP 109 1.040 40.776 -1.033 50.032 -99.200 -91.000 TRP6 109 1.020 42.138 -0.153 51.744 -99.200 -91.000 HIS 113 0.900 44.371 10.931 42.709 -99.200 -91.000 TRP 114 1.040 37.288 12.486 44.647 -99.200 -91.000 TRP6 114 1.020 35.136 11.603 45.137 -99.200 -91.000 HIS 123 0.900 31.763 15.477 43.381 -99.200 -91.000 TYR 128 0.840 45.474 16.875 39.719 -99.200 -91.000 PHE 164 1.000 35.128 9.546 40.983 -99.200 -91.000 HIS 170 0.900 43.190 17.859 35.342 -99.200 -91.000 TRP 172 1.040 40.620 12.693 26.671 -99.200 -91.000 TRP6 172 1.020 39.973 10.545 25.954 -99.200 -91.000 HIS 176 0.900 50.232 10.089 25.719 -99.200 -91.000 PHE 197 1.000 37.125 10.442 29.839 -99.200 -91.000 HIS 229 0.900 49.145 1.385 25.478 -99.200 -91.000 TRP 232 1.040 43.658 -6.805 37.822 -99.200 -91.000 TRP6 232 1.020 41.587 -6.049 38.699 -99.200 -91.000 HIS 237 0.900 28.334 2.644 33.624 -99.200 -91.000 TRP 252 1.040 45.543 -6.105 15.280 -99.200 -91.000 TRP6 252 1.020 44.282 -4.671 13.888 -99.200 -91.000