============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 1 0.840 30.892 29.769 26.819 -99.200 -91.000 PHE 9 1.000 19.493 28.854 24.912 -99.200 -91.000 TRP 20 1.040 10.404 30.390 8.682 -99.200 -91.000 TRP6 20 1.020 8.928 32.221 8.293 -99.200 -91.000 TRP 27 1.040 2.319 34.693 5.078 -99.200 -91.000 TRP6 27 1.020 4.034 35.872 6.215 -99.200 -91.000 TRP 30 1.040 -4.236 34.395 4.288 -99.200 -91.000 TRP6 30 1.020 -3.182 35.921 5.767 -99.200 -91.000 TYR 34 0.840 -5.911 36.385 -2.381 -99.200 -91.000 HIS 41 0.900 -0.048 38.755 3.068 -99.200 -91.000 HIS 42 0.900 6.925 40.484 6.644 -99.200 -91.000 TRP 45 1.040 0.512 43.036 7.679 -99.200 -91.000 TRP6 45 1.020 -0.559 40.931 7.779 -99.200 -91.000 TYR 48 0.840 -3.504 48.166 6.102 -99.200 -91.000 PHE 61 1.000 10.267 47.987 10.958 -99.200 -91.000 HIS 64 0.900 21.140 42.294 0.905 -99.200 -91.000 PHE 69 1.000 14.806 48.352 -6.652 -99.200 -91.000 PHE 71 1.000 10.557 38.316 -3.720 -99.200 -91.000 TYR 80 0.840 -1.375 42.823 -6.817 -99.200 -91.000 PHE 83 1.000 9.680 50.881 -6.584 -99.200 -91.000 TYR 94 0.840 10.134 56.761 2.166 -99.200 -91.000 PHE 105 1.000 -2.798 44.211 3.962 -99.200 -91.000 TRP 106 1.040 -8.678 47.164 2.263 -99.200 -91.000 TRP6 106 1.020 -10.055 48.587 0.955 -99.200 -91.000 PHE 112 1.000 -6.047 35.603 10.755 -99.200 -91.000 PHE 120 1.000 -6.702 31.071 17.230 -99.200 -91.000 TYR 127 0.840 -7.458 33.525 24.451 -99.200 -91.000 HIS 128 0.900 -9.600 28.226 25.459 -99.200 -91.000 PHE 130 1.000 -0.589 31.209 31.795 -99.200 -91.000 PHE 133 1.000 -4.582 35.165 21.079 -99.200 -91.000 HIS 142 0.900 18.870 42.104 25.085 -99.200 -91.000 TYR 144 0.840 16.662 40.023 13.939 -99.200 -91.000 PHE 148 1.000 12.745 42.743 13.923 -99.200 -91.000 PHE 151 1.000 7.115 42.632 17.377 -99.200 -91.000 PHE 162 1.000 -9.898 44.949 7.107 -99.200 -91.000