============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 8 0.840 32.051 29.335 12.263 -99.200 -91.000 HIS 10 0.900 35.909 31.833 16.947 -99.200 -91.000 PHE 16 1.000 43.856 29.238 12.147 -99.200 -91.000 TYR 41 0.840 29.466 30.584 19.872 -99.200 -91.000 PHE 45 1.000 21.379 24.195 18.254 -99.200 -91.000 PHE 64 1.000 12.169 16.047 30.498 -99.200 -91.000 TYR 66 0.840 16.722 16.096 26.171 -99.200 -91.000 HIS 71 0.900 13.324 5.815 21.259 -99.200 -91.000 TYR 74 0.840 13.420 10.850 14.770 -99.200 -91.000 PHE 98 1.000 30.260 17.584 13.914 -99.200 -91.000 PHE 100 1.000 35.639 20.996 17.687 -99.200 -91.000 TYR 103 0.840 35.586 27.460 23.759 -99.200 -91.000 TRP 104 1.040 37.394 24.481 30.077 -99.200 -91.000 TRP6 104 1.020 39.410 24.581 31.341 -99.200 -91.000 PHE 105 1.000 43.053 18.195 27.386 -99.200 -91.000 TRP 114 1.040 24.077 20.785 15.708 -99.200 -91.000 TRP6 114 1.020 24.858 18.658 14.931 -99.200 -91.000 PHE 123 1.000 18.736 12.599 12.728 -99.200 -91.000 PHE 125 1.000 21.126 6.582 20.320 -99.200 -91.000 PHE 130 1.000 24.837 0.144 20.436 -99.200 -91.000 TYR 131 0.840 30.169 2.216 19.701 -99.200 -91.000 TYR 154 0.840 46.839 19.592 23.017 -99.200 -91.000 TYR 165 0.840 46.725 9.777 25.131 -99.200 -91.000 PHE 166 1.000 42.265 16.951 21.632 -99.200 -91.000 TRP 168 1.040 37.409 7.019 24.056 -99.200 -91.000 TRP6 168 1.020 37.545 5.115 22.676 -99.200 -91.000 HIS 172 0.900 34.517 3.889 20.229 -99.200 -91.000 HIS 176 0.900 32.872 3.260 15.468 -99.200 -91.000 PHE 177 1.000 26.027 5.021 20.756 -99.200 -91.000 PHE 180 1.000 28.043 11.314 11.303 -99.200 -91.000 PHE 189 1.000 48.367 20.162 17.296 -99.200 -91.000 TRP 206 1.040 39.864 23.470 6.482 -99.200 -91.000 TRP6 206 1.020 39.348 21.176 6.788 -99.200 -91.000 TRP 214 1.040 33.990 15.171 -1.829 -99.200 -91.000 TRP6 214 1.020 32.252 14.678 -0.307 -99.200 -91.000 HIS 224 0.900 46.512 -0.465 18.181 -99.200 -91.000 TRP 225 1.040 43.550 6.151 14.419 -99.200 -91.000 TRP6 225 1.020 43.030 8.314 15.228 -99.200 -91.000 HIS 226 0.900 40.189 7.346 19.026 -99.200 -91.000 PHE 227 1.000 42.335 6.025 24.351 -99.200 -91.000