============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 24 0.900 -1.384 4.414 11.028 -99.200 -91.000 TYR 25 0.840 -7.814 12.233 9.005 -99.200 -91.000 PHE 62 1.000 -5.576 1.619 18.979 -99.200 -91.000 HIS 80 0.900 -23.128 6.914 15.789 -99.200 -91.000 TRP 105 1.040 -17.072 -4.543 16.278 -99.200 -91.000 TRP6 105 1.020 -18.759 -3.669 14.859 -99.200 -91.000 PHE 108 1.000 -13.049 -5.372 22.506 -99.200 -91.000 HIS 112 0.900 -2.786 -3.734 30.924 -99.200 -91.000 PHE 129 1.000 1.604 3.851 24.567 -99.200 -91.000 TYR 134 0.840 -1.033 -2.287 23.063 -99.200 -91.000 TYR 141 0.840 -17.720 -16.507 17.262 -99.200 -91.000 TYR 161 0.840 5.109 -9.742 26.300 -99.200 -91.000 HIS 168 0.900 -4.502 -8.384 31.360 -99.200 -91.000 TRP 174 1.040 0.291 -14.110 40.325 -99.200 -91.000 TRP6 174 1.020 0.057 -14.716 42.606 -99.200 -91.000 HIS 177 0.900 -5.214 -5.306 39.346 -99.200 -91.000 PHE 210 1.000 6.165 3.543 55.161 -99.200 -91.000 TYR 230 0.840 -15.145 -2.865 36.398 -99.200 -91.000 TYR 242 0.840 1.451 -10.572 50.973 -99.200 -91.000 HIS 245 0.900 4.288 -17.988 49.659 -99.200 -91.000 TRP 258 1.040 17.357 -15.646 64.454 -99.200 -91.000 TRP6 258 1.020 15.367 -14.410 64.091 -99.200 -91.000 HIS 262 0.900 21.215 -16.339 54.761 -99.200 -91.000 TYR 275 0.840 8.300 -11.858 39.158 -99.200 -91.000