============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 4 1.040 11.753 58.484 26.422 -99.200 -91.000 TRP6 4 1.020 13.620 59.774 27.082 -99.200 -91.000 HIS 29 0.900 18.498 46.766 31.464 -99.200 -91.000 TYR 33 0.840 15.871 37.800 30.052 -99.200 -91.000 HIS 37 0.900 7.016 25.706 26.061 -99.200 -91.000 PHE 53 1.000 23.779 41.604 26.656 -99.200 -91.000 PHE 90 1.000 3.512 35.701 26.229 -99.200 -91.000 HIS 93 0.900 7.000 29.444 33.939 -99.200 -91.000 PHE 96 1.000 16.468 35.868 34.517 -99.200 -91.000 TYR 97 0.840 20.869 41.914 39.238 -99.200 -91.000 PHE 98 1.000 23.663 37.888 32.832 -99.200 -91.000 TRP 106 1.040 16.291 43.080 39.923 -99.200 -91.000 TRP6 106 1.020 15.966 41.008 41.005 -99.200 -91.000 PHE 110 1.000 6.063 37.325 31.651 -99.200 -91.000 HIS 115 0.900 2.486 23.788 17.731 -99.200 -91.000 PHE 118 1.000 7.444 31.191 15.597 -99.200 -91.000 TRP 130 1.040 10.443 25.263 15.949 -99.200 -91.000 TRP6 130 1.020 9.509 26.096 17.965 -99.200 -91.000 PHE 143 1.000 21.889 28.865 22.567 -99.200 -91.000 TRP 154 1.040 10.066 27.108 30.689 -99.200 -91.000 TRP6 154 1.020 10.463 25.317 29.201 -99.200 -91.000