============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 23.096 51.525 1.062 -99.200 -91.000 TRP 7 1.040 19.431 50.161 -2.070 -99.200 -91.000 TRP6 7 1.020 18.502 50.935 -0.050 -99.200 -91.000 HIS 16 0.900 11.991 35.275 -6.708 -99.200 -91.000 TYR 21 0.840 20.485 40.579 -7.652 -99.200 -91.000 TYR 22 0.840 13.745 35.727 -2.728 -99.200 -91.000 HIS 30 0.900 -6.737 34.532 10.115 -99.200 -91.000 HIS 41 0.900 1.818 31.584 5.976 -99.200 -91.000 TYR 43 0.840 0.680 40.015 6.016 -99.200 -91.000 TYR 47 0.840 12.798 44.682 2.646 -99.200 -91.000 PHE 48 1.000 11.815 41.636 -7.878 -99.200 -91.000 HIS 57 0.900 13.572 35.434 -16.808 -99.200 -91.000 HIS 59 0.900 6.243 36.305 -12.326 -99.200 -91.000 TRP 67 1.040 4.566 44.373 -7.943 -99.200 -91.000 TRP6 67 1.020 6.733 43.592 -8.357 -99.200 -91.000 TYR 69 0.840 10.661 54.499 -5.926 -99.200 -91.000 HIS 70 0.900 10.171 50.227 0.107 -99.200 -91.000 HIS 78 0.900 7.889 45.002 -19.231 -99.200 -91.000 TYR 93 0.840 -4.375 35.529 -19.441 -99.200 -91.000 TYR 96 0.840 2.320 45.289 -22.005 -99.200 -91.000 TYR 113 0.840 -0.551 48.155 -11.446 -99.200 -91.000 PHE 121 1.000 2.980 39.274 -11.878 -99.200 -91.000 TYR 136 0.840 19.078 50.987 -6.693 -99.200 -91.000 PHE 147 1.000 5.363 32.955 -4.139 -99.200 -91.000 TYR 149 0.840 9.027 29.829 -4.583 -99.200 -91.000 PHE 152 1.000 6.903 32.332 -9.826 -99.200 -91.000 PHE 155 1.000 2.754 31.265 -18.154 -99.200 -91.000 TYR 164 0.840 -2.494 33.490 -23.468 -99.200 -91.000 HIS 167 0.900 -0.955 40.460 -25.301 -99.200 -91.000 TYR 176 0.840 13.283 31.844 -17.148 -99.200 -91.000