============================================================================= 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. TYR 7 0.840 44.090 20.371 28.617 -99.200 -91.000 TYR 22 0.840 32.235 12.089 36.520 -99.200 -91.000 TYR 27 0.840 35.180 -1.523 41.512 -99.200 -91.000 TYR 29 0.840 26.179 5.601 41.598 -99.200 -91.000 PHE 34 1.000 25.786 -7.130 39.249 -99.200 -91.000 TYR 35 0.840 22.902 -4.593 49.770 -99.200 -91.000 PHE 36 1.000 19.741 -1.739 47.239 -99.200 -91.000 HIS 48 0.900 16.988 -0.273 34.978 -99.200 -91.000 PHE 49 1.000 18.404 5.750 41.204 -99.200 -91.000 PHE 50 1.000 21.599 2.845 44.030 -99.200 -91.000 PHE 77 1.000 43.164 5.615 31.923 -99.200 -91.000 TRP 88 1.040 26.627 -0.971 48.735 -99.200 -91.000 TRP6 88 1.020 27.942 0.977 49.003 -99.200 -91.000 HIS 113 0.900 33.146 26.716 35.361 -99.200 -91.000 HIS 123 0.900 37.121 22.685 24.502 -99.200 -91.000 PHE 127 1.000 34.250 18.091 28.399 -99.200 -91.000 HIS 131 0.900 29.429 17.995 26.549 -99.200 -91.000 PHE 132 1.000 31.398 15.600 32.387 -99.200 -91.000 HIS 146 0.900 13.974 8.693 42.936 -99.200 -91.000 TYR 161 0.840 6.264 -5.116 47.171 -99.200 -91.000 PHE 163 1.000 11.586 5.170 46.161 -99.200 -91.000