============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 6 0.900 17.132 23.623 36.930 -99.200 -91.000 TYR 21 0.840 26.114 37.691 33.324 -99.200 -91.000 TYR 28 0.840 19.183 34.751 23.955 -99.200 -91.000 HIS 45 0.900 32.295 39.795 37.000 -99.200 -91.000 PHE 62 1.000 33.577 24.575 39.277 -99.200 -91.000 TRP 63 1.040 34.574 21.179 33.247 -99.200 -91.000 TRP6 63 1.020 32.878 22.148 31.926 -99.200 -91.000 HIS 71 0.900 19.376 21.474 34.346 -99.200 -91.000 HIS 80 0.900 45.389 36.650 27.193 -99.200 -91.000 HIS 81 0.900 48.347 32.789 31.090 -99.200 -91.000 TYR 96 0.840 28.027 21.092 25.873 -99.200 -91.000 TYR 106 0.840 48.376 36.313 19.019 -99.200 -91.000 PHE 122 1.000 32.339 34.105 16.441 -99.200 -91.000 TYR 125 0.840 43.310 42.017 19.745 -99.200 -91.000 PHE 132 1.000 35.935 52.279 18.586 -99.200 -91.000 HIS 135 0.900 28.642 50.519 23.759 -99.200 -91.000 PHE 144 1.000 28.399 58.508 10.041 -99.200 -91.000