============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 11 0.840 28.459 45.997 9.066 -99.200 -91.000 PHE 18 1.000 39.902 48.410 8.731 -99.200 -91.000 PHE 38 1.000 29.385 51.525 -1.863 -99.200 -91.000 TRP 39 1.040 34.103 53.881 -3.847 -99.200 -91.000 TRP6 39 1.020 34.516 53.178 -1.629 -99.200 -91.000 PHE 48 1.000 28.120 56.712 6.492 -99.200 -91.000 TYR 75 0.840 46.976 45.669 5.006 -99.200 -91.000 PHE 79 1.000 46.023 48.367 9.207 -99.200 -91.000 TYR 88 0.840 45.229 40.693 15.323 -99.200 -91.000 TYR 92 0.840 44.016 48.932 19.315 -99.200 -91.000 PHE 96 1.000 35.521 41.214 23.235 -99.200 -91.000 HIS 100 0.900 36.154 37.074 20.889 -99.200 -91.000 PHE 105 1.000 32.122 34.288 9.074 -99.200 -91.000 HIS 107 0.900 37.001 24.600 10.179 -99.200 -91.000 HIS 116 0.900 54.627 40.561 7.715 -99.200 -91.000 PHE 117 1.000 50.542 37.888 14.482 -99.200 -91.000 HIS 123 0.900 53.323 25.447 18.875 -99.200 -91.000 TYR 129 0.840 47.469 15.268 11.045 -99.200 -91.000 HIS 131 0.900 43.398 11.467 14.386 -99.200 -91.000 HIS 135 0.900 42.345 7.337 15.344 -99.200 -91.000 PHE 144 1.000 52.389 15.382 9.921 -99.200 -91.000 TRP 152 1.040 59.793 21.446 10.796 -99.200 -91.000 TRP6 152 1.020 59.643 22.525 12.900 -99.200 -91.000 PHE 156 1.000 62.342 23.736 17.741 -99.200 -91.000 HIS 159 0.900 67.860 30.261 16.610 -99.200 -91.000 PHE 168 1.000 62.181 19.898 30.565 -99.200 -91.000 TYR 169 0.840 60.776 23.632 27.741 -99.200 -91.000 TRP 179 1.040 58.867 9.009 18.936 -99.200 -91.000 TRP6 179 1.020 58.767 6.957 20.101 -99.200 -91.000