============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 9.444 -6.489 37.089 -99.200 -91.000 TRP6 14 1.020 9.753 -7.658 35.082 -99.200 -91.000 TRP 35 1.040 9.886 -16.687 49.139 -99.200 -91.000 TRP6 35 1.020 10.132 -16.247 51.433 -99.200 -91.000 HIS 41 0.900 11.867 3.234 53.801 -99.200 -91.000 PHE 43 1.000 7.530 -4.028 55.520 -99.200 -91.000 TRP 49 1.040 2.960 -6.323 62.705 -99.200 -91.000 TRP6 49 1.020 4.742 -5.968 61.195 -99.200 -91.000 HIS 59 0.900 -1.677 0.475 34.322 -99.200 -91.000 HIS 64 0.900 -11.565 -5.997 40.026 -99.200 -91.000 TYR 82 0.840 15.524 -0.804 58.957 -99.200 -91.000 HIS 89 0.900 23.024 -3.395 56.555 -99.200 -91.000 HIS 97 0.900 -2.061 -17.911 54.440 -99.200 -91.000 HIS 105 0.900 -2.183 -8.531 32.136 -99.200 -91.000 PHE 116 1.000 24.289 -10.942 34.865 -99.200 -91.000 PHE 123 1.000 30.824 -1.536 36.582 -99.200 -91.000 PHE 126 1.000 20.165 6.254 30.843 -99.200 -91.000 TRP 132 1.040 0.268 2.523 41.275 -99.200 -91.000 TRP6 132 1.020 0.999 0.300 41.492 -99.200 -91.000 TYR 173 0.840 26.136 -3.345 53.616 -99.200 -91.000 PHE 175 1.000 21.805 1.077 42.872 -99.200 -91.000 TYR 179 0.840 17.964 11.820 34.874 -99.200 -91.000 HIS 195 0.900 18.205 0.656 39.732 -99.200 -91.000 HIS 198 0.900 16.063 -5.444 28.682 -99.200 -91.000 TYR 199 0.840 24.166 -8.126 30.103 -99.200 -91.000 TRP 203 1.040 13.350 -6.130 31.425 -99.200 -91.000 TRP6 203 1.020 13.880 -3.853 31.682 -99.200 -91.000 TYR 204 0.840 19.222 -10.578 34.740 -99.200 -91.000 TRP 211 1.040 18.658 6.763 51.518 -99.200 -91.000 TRP6 211 1.020 19.993 8.719 51.628 -99.200 -91.000 HIS 220 0.900 20.914 16.924 47.720 -99.200 -91.000 PHE 221 1.000 23.157 12.426 41.059 -99.200 -91.000 TYR 224 0.840 17.001 4.127 43.340 -99.200 -91.000 TYR 230 0.840 21.283 -6.251 51.856 -99.200 -91.000 TRP 233 1.040 19.655 -11.705 54.977 -99.200 -91.000 TRP6 233 1.020 17.717 -10.519 54.328 -99.200 -91.000 PHE 252 1.000 23.674 -8.560 55.272 -99.200 -91.000