============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 2 0.900 -5.659 -3.880 -34.235 -99.200 -91.000 HIS 12 0.900 -5.672 -15.509 -49.235 -99.200 -91.000 HIS 36 0.900 -10.108 13.059 -42.167 -99.200 -91.000 HIS 48 0.900 -6.926 -11.331 -67.266 -99.200 -91.000 HIS 63 0.900 -11.342 13.211 -55.086 -99.200 -91.000 PHE 71 1.000 -12.987 2.980 -46.402 -99.200 -91.000 HIS 85 0.900 -15.311 22.595 -47.482 -99.200 -91.000 HIS 90 0.900 -5.417 16.070 -58.765 -99.200 -91.000 TYR 92 0.840 -6.547 11.461 -58.554 -99.200 -91.000 HIS 94 0.900 -12.383 11.852 -69.566 -99.200 -91.000 HIS 102 0.900 -22.726 17.361 -61.057 -99.200 -91.000 TYR 115 0.840 -22.943 -1.597 -57.407 -99.200 -91.000 PHE 117 1.000 -18.841 2.021 -62.570 -99.200 -91.000 HIS 122 0.900 -6.479 7.020 -58.377 -99.200 -91.000 PHE 134 1.000 -20.717 -0.997 -42.776 -99.200 -91.000 HIS 137 0.900 -18.051 -1.948 -30.683 -99.200 -91.000 PHE 141 1.000 -12.535 -2.889 -39.833 -99.200 -91.000 PHE 161 1.000 -16.665 -8.037 -62.503 -99.200 -91.000 TYR 176 0.840 -13.351 -6.578 -36.976 -99.200 -91.000