============================================================================= 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. PHE 4 1.000 -15.582 61.856 7.007 -99.200 -91.000 PHE 9 1.000 -15.598 69.462 15.864 -99.200 -91.000 TRP 45 1.040 -0.474 90.580 14.889 -99.200 -91.000 TRP6 45 1.020 -0.830 92.191 16.595 -99.200 -91.000 TRP 60 1.040 1.171 96.970 14.495 -99.200 -91.000 TRP6 60 1.020 0.082 97.993 16.314 -99.200 -91.000 PHE 74 1.000 8.558 89.010 23.605 -99.200 -91.000 TYR 76 0.840 5.542 93.857 33.335 -99.200 -91.000 PHE 77 1.000 2.994 91.616 25.186 -99.200 -91.000 PHE 81 1.000 -1.626 87.712 25.123 -99.200 -91.000 PHE 83 1.000 -4.034 88.675 36.123 -99.200 -91.000 TYR 84 0.840 -3.793 92.445 32.017 -99.200 -91.000 TYR 85 0.840 -7.355 84.040 26.396 -99.200 -91.000 TYR 96 0.840 -17.076 81.660 15.817 -99.200 -91.000 TYR 111 0.840 -19.825 60.850 13.029 -99.200 -91.000 HIS 123 0.900 -4.794 79.985 28.540 -99.200 -91.000 PHE 131 1.000 -17.418 79.992 26.054 -99.200 -91.000 HIS 135 0.900 -20.821 67.563 28.070 -99.200 -91.000 PHE 137 1.000 -14.921 68.825 22.035 -99.200 -91.000 HIS 151 0.900 4.807 67.793 11.161 -99.200 -91.000 PHE 155 1.000 -5.266 67.338 11.725 -99.200 -91.000 TYR 156 0.840 0.634 61.688 9.718 -99.200 -91.000 TYR 157 0.840 -1.244 61.691 20.563 -99.200 -91.000 PHE 162 1.000 -9.137 58.755 20.077 -99.200 -91.000 TYR 165 0.840 -6.173 52.353 7.260 -99.200 -91.000 PHE 171 1.000 -9.002 69.798 12.458 -99.200 -91.000 PHE 180 1.000 -2.039 75.850 3.537 -99.200 -91.000 HIS 183 0.900 -6.299 70.174 1.579 -99.200 -91.000 TYR 194 0.840 -17.846 80.147 12.249 -99.200 -91.000 TYR 196 0.840 -10.697 84.236 15.431 -99.200 -91.000 TYR 198 0.840 -2.781 83.591 9.363 -99.200 -91.000 TRP 209 1.040 -18.005 68.984 2.355 -99.200 -91.000 TRP6 209 1.020 -16.604 67.365 3.359 -99.200 -91.000 PHE 211 1.000 -20.385 72.706 5.153 -99.200 -91.000 PHE 214 1.000 -19.459 73.534 14.874 -99.200 -91.000