============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 1 0.900 8.984 -9.115 8.432 -99.200 -91.000 TYR 21 0.840 15.541 -7.384 17.492 -99.200 -91.000 PHE 35 1.000 22.946 -7.622 13.164 -99.200 -91.000 PHE 41 1.000 25.808 -6.009 22.159 -99.200 -91.000 PHE 47 1.000 22.196 -3.968 38.395 -99.200 -91.000 HIS 71 0.900 13.823 2.414 58.959 -99.200 -91.000 TYR 72 0.840 17.272 4.812 52.141 -99.200 -91.000 TYR 80 0.840 23.190 8.666 37.042 -99.200 -91.000 HIS 87 0.900 10.096 7.501 50.306 -99.200 -91.000 PHE 126 1.000 18.179 -15.581 40.990 -99.200 -91.000 HIS 128 0.900 27.552 -20.839 37.696 -99.200 -91.000 HIS 133 0.900 26.245 -21.861 33.984 -99.200 -91.000 TRP 140 1.040 28.778 -3.182 45.490 -99.200 -91.000 TRP6 140 1.020 26.977 -3.707 46.933 -99.200 -91.000 TRP 185 1.040 7.544 -4.180 41.442 -99.200 -91.000 TRP6 185 1.020 8.719 -5.926 42.525 -99.200 -91.000 TRP 204 1.040 0.010 -3.437 20.131 -99.200 -91.000 TRP6 204 1.020 1.669 -4.913 19.303 -99.200 -91.000 PHE 205 1.000 1.967 -6.496 29.642 -99.200 -91.000 TYR 237 0.840 21.484 -5.571 26.612 -99.200 -91.000 HIS 262 0.900 7.009 -5.419 8.457 -99.200 -91.000 TRP 263 1.040 3.032 -9.208 17.376 -99.200 -91.000 TRP6 263 1.020 4.719 -8.590 18.921 -99.200 -91.000