============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.338 -9.624 21.368 -99.200 -91.000 TRP6 21 1.020 19.280 -8.480 20.632 -99.200 -91.000 TYR 40 0.840 15.538 -3.059 37.184 -99.200 -91.000 HIS 42 0.900 11.072 1.406 30.868 -99.200 -91.000 HIS 47 0.900 4.661 -11.704 18.514 -99.200 -91.000 TYR 49 0.840 12.959 -8.069 22.181 -99.200 -91.000 PHE 74 1.000 5.953 4.016 30.425 -99.200 -91.000 TRP 80 1.040 9.126 -8.714 13.400 -99.200 -91.000 TRP6 80 1.020 11.175 -7.696 13.961 -99.200 -91.000 TYR 83 0.840 2.820 -9.528 13.415 -99.200 -91.000 HIS 84 0.900 6.098 -1.791 9.986 -99.200 -91.000 TYR 104 0.840 -2.808 0.372 31.164 -99.200 -91.000 TYR 108 0.840 2.328 -2.202 19.975 -99.200 -91.000 HIS 111 0.900 11.428 -4.496 17.753 -99.200 -91.000 TRP 112 1.040 14.083 -3.102 13.884 -99.200 -91.000 TRP6 112 1.020 16.257 -2.218 13.667 -99.200 -91.000 PHE 116 1.000 11.383 -7.050 7.913 -99.200 -91.000 PHE 122 1.000 8.544 -13.533 14.858 -99.200 -91.000 PHE 123 1.000 14.511 -10.519 10.970 -99.200 -91.000 TRP 142 1.040 2.170 8.243 14.027 -99.200 -91.000 TRP6 142 1.020 3.442 7.332 15.793 -99.200 -91.000 PHE 162 1.000 10.220 5.043 12.650 -99.200 -91.000 HIS 164 0.900 17.555 15.065 11.789 -99.200 -91.000 TYR 178 0.840 -3.537 10.693 19.685 -99.200 -91.000 HIS 188 0.900 26.987 1.589 22.098 -99.200 -91.000 TYR 190 0.840 33.260 1.382 22.675 -99.200 -91.000 TYR 199 0.840 14.652 16.065 14.018 -99.200 -91.000 TYR 210 0.840 18.550 -0.503 20.205 -99.200 -91.000 TRP 220 1.040 25.205 -9.056 15.847 -99.200 -91.000 TRP6 220 1.020 22.887 -9.278 16.132 -99.200 -91.000 HIS 241 0.900 32.250 9.127 39.562 -99.200 -91.000 PHE 252 1.000 27.591 8.437 28.100 -99.200 -91.000 PHE 274 1.000 15.774 0.506 40.391 -99.200 -91.000 PHE 277 1.000 17.494 5.399 39.807 -99.200 -91.000 PHE 279 1.000 27.312 6.592 39.602 -99.200 -91.000 TYR 292 0.840 36.230 7.081 26.331 -99.200 -91.000 TRP 296 1.040 30.792 -1.832 17.143 -99.200 -91.000 TRP6 296 1.020 29.834 -2.710 19.134 -99.200 -91.000 HIS 307 0.900 11.843 -2.061 3.866 -99.200 -91.000 TYR 310 0.840 19.306 -1.341 7.295 -99.200 -91.000 PHE 312 1.000 20.190 1.531 12.033 -99.200 -91.000 HIS 313 0.900 21.694 2.857 3.756 -99.200 -91.000 PHE 316 1.000 21.283 13.920 11.846 -99.200 -91.000