============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 21 0.900 -1.585 36.187 39.412 -99.200 -91.000 TYR 22 0.840 -2.912 42.928 43.228 -99.200 -91.000 TRP 42 1.040 10.438 36.187 35.367 -99.200 -91.000 TRP6 42 1.020 12.511 35.106 35.750 -99.200 -91.000 PHE 54 1.000 10.298 35.378 41.085 -99.200 -91.000 TRP 70 1.040 7.988 46.254 39.150 -99.200 -91.000 TRP6 70 1.020 6.306 44.610 39.518 -99.200 -91.000 TRP 82 1.040 -8.030 47.671 40.779 -99.200 -91.000 TRP6 82 1.020 -6.970 46.087 42.176 -99.200 -91.000 PHE 103 1.000 12.880 46.109 58.474 -99.200 -91.000 HIS 107 0.900 15.833 50.719 49.664 -99.200 -91.000 PHE 159 1.000 2.562 35.275 65.982 -99.200 -91.000 TYR 163 0.840 11.856 30.320 67.603 -99.200 -91.000 TYR 168 0.840 11.706 43.099 71.192 -99.200 -91.000 PHE 174 1.000 5.590 44.083 63.644 -99.200 -91.000 HIS 175 0.900 -0.740 48.881 62.974 -99.200 -91.000 PHE 183 1.000 1.589 26.614 62.914 -99.200 -91.000 HIS 190 0.900 -3.709 16.533 61.046 -99.200 -91.000 TYR 221 0.840 -15.643 31.975 56.504 -99.200 -91.000 PHE 223 1.000 -11.040 25.886 65.583 -99.200 -91.000 PHE 231 1.000 -10.005 41.844 59.519 -99.200 -91.000 PHE 245 1.000 -8.371 41.825 44.820 -99.200 -91.000