============================================================================= 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. PHE 2 1.000 -8.350 63.769 21.218 -99.200 -91.000 PHE 7 1.000 3.891 59.446 16.935 -99.200 -91.000 TRP 30 1.040 26.263 58.116 15.727 -99.200 -91.000 TRP6 30 1.020 26.847 57.262 17.845 -99.200 -91.000 TYR 36 0.840 21.965 62.615 8.435 -99.200 -91.000 HIS 40 0.900 22.652 77.260 12.586 -99.200 -91.000 TYR 53 0.840 26.109 78.128 5.688 -99.200 -91.000 HIS 63 0.900 42.376 66.231 12.320 -99.200 -91.000 PHE 65 1.000 32.970 69.695 10.979 -99.200 -91.000 HIS 79 0.900 34.580 68.227 6.018 -99.200 -91.000 TYR 100 0.840 17.683 56.047 9.466 -99.200 -91.000 PHE 102 1.000 17.073 60.891 7.112 -99.200 -91.000 PHE 111 1.000 6.930 68.405 13.182 -99.200 -91.000 TYR 117 0.840 22.792 71.931 27.567 -99.200 -91.000 TYR 125 0.840 8.019 71.044 20.932 -99.200 -91.000 HIS 133 0.900 5.307 76.543 3.978 -99.200 -91.000 PHE 139 1.000 8.566 74.402 25.789 -99.200 -91.000 PHE 149 1.000 10.187 61.725 17.426 -99.200 -91.000 TYR 153 0.840 4.810 47.333 15.840 -99.200 -91.000 PHE 158 1.000 14.935 60.221 12.946 -99.200 -91.000 TYR 160 0.840 11.527 71.506 12.349 -99.200 -91.000 HIS 162 0.900 14.662 75.236 15.907 -99.200 -91.000 HIS 163 0.900 18.659 73.821 9.678 -99.200 -91.000 HIS 171 0.900 11.077 77.641 17.926 -99.200 -91.000 PHE 180 1.000 15.966 76.645 6.467 -99.200 -91.000 TYR 181 0.840 9.544 70.725 6.315 -99.200 -91.000 PHE 184 1.000 10.346 80.844 6.970 -99.200 -91.000 TRP 206 1.040 -10.215 69.081 19.177 -99.200 -91.000 TRP6 206 1.020 -11.705 70.757 19.862 -99.200 -91.000 TYR 208 0.840 -16.007 64.141 11.088 -99.200 -91.000 TRP 217 1.040 -21.888 71.206 22.450 -99.200 -91.000 TRP6 217 1.020 -21.708 73.383 21.538 -99.200 -91.000 PHE 218 1.000 -19.625 69.348 18.026 -99.200 -91.000 PHE 222 1.000 -29.807 77.305 10.229 -99.200 -91.000 PHE 229 1.000 -15.826 75.608 6.115 -99.200 -91.000 TYR 236 0.840 -15.439 83.826 12.119 -99.200 -91.000 TYR 238 0.840 -11.009 78.259 11.431 -99.200 -91.000 HIS 245 0.900 -7.653 70.625 2.676 -99.200 -91.000 PHE 290 1.000 -5.599 66.600 19.202 -99.200 -91.000 PHE 293 1.000 -2.042 58.109 11.085 -99.200 -91.000