============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.264 22.081 28.310 -99.200 -91.000 PHE 14 1.000 52.788 43.275 24.363 -99.200 -91.000 PHE 39 1.000 52.107 35.327 31.044 -99.200 -91.000 TYR 40 0.840 54.089 27.762 32.794 -99.200 -91.000 TYR 44 0.840 41.017 24.758 26.681 -99.200 -91.000 PHE 51 1.000 32.834 30.531 39.463 -99.200 -91.000 PHE 54 1.000 35.898 29.629 43.566 -99.200 -91.000 TYR 60 0.840 33.193 33.603 45.714 -99.200 -91.000 PHE 67 1.000 26.272 43.490 44.625 -99.200 -91.000 PHE 71 1.000 23.563 45.867 34.454 -99.200 -91.000 PHE 73 1.000 21.716 41.000 23.397 -99.200 -91.000 TRP 82 1.040 22.728 46.439 24.039 -99.200 -91.000 TRP6 82 1.020 22.869 48.360 22.663 -99.200 -91.000 TRP 83 1.040 24.489 45.400 28.065 -99.200 -91.000 TRP6 83 1.020 24.979 43.118 28.449 -99.200 -91.000 TRP 91 1.040 27.908 30.353 39.549 -99.200 -91.000 TRP6 91 1.020 28.408 28.098 39.036 -99.200 -91.000 HIS 93 0.900 19.667 29.143 38.085 -99.200 -91.000 HIS 103 0.900 21.455 24.384 28.137 -99.200 -91.000 HIS 107 0.900 28.385 26.786 25.595 -99.200 -91.000 HIS 111 0.900 24.961 36.732 34.454 -99.200 -91.000 TRP 114 1.040 39.386 42.569 38.961 -99.200 -91.000 TRP6 114 1.020 40.388 42.743 41.094 -99.200 -91.000 TYR 120 0.840 38.521 29.064 38.842 -99.200 -91.000 TRP 123 1.040 39.713 26.489 45.178 -99.200 -91.000 TRP6 123 1.020 39.339 25.327 43.167 -99.200 -91.000 TRP 134 1.040 43.319 38.829 28.120 -99.200 -91.000 TRP6 134 1.020 42.751 39.602 25.965 -99.200 -91.000 TYR 136 0.840 54.240 38.418 24.877 -99.200 -91.000 HIS 143 0.900 55.326 44.766 15.525 -99.200 -91.000 PHE 147 1.000 40.565 41.151 13.527 -99.200 -91.000 TRP 149 1.040 42.311 35.969 12.782 -99.200 -91.000 TRP6 149 1.020 40.913 35.976 14.659 -99.200 -91.000 HIS 159 0.900 32.383 33.208 10.710 -99.200 -91.000 TYR 160 0.840 41.250 31.338 11.998 -99.200 -91.000 TRP 164 1.040 24.987 40.405 16.138 -99.200 -91.000 TRP6 164 1.020 23.605 39.976 18.005 -99.200 -91.000 PHE 168 1.000 24.064 44.545 19.622 -99.200 -91.000 PHE 178 1.000 29.507 27.598 18.728 -99.200 -91.000 PHE 187 1.000 34.435 29.832 16.683 -99.200 -91.000 TYR 192 0.840 52.406 33.670 22.240 -99.200 -91.000 TYR 195 0.840 41.952 25.808 21.819 -99.200 -91.000 TRP 202 1.040 33.299 42.169 26.886 -99.200 -91.000 TRP6 202 1.020 34.989 43.692 26.215 -99.200 -91.000 TRP 204 1.040 35.981 40.396 35.428 -99.200 -91.000 TRP6 204 1.020 35.536 42.712 35.723 -99.200 -91.000 TRP 208 1.040 43.244 49.883 40.629 -99.200 -91.000 TRP6 208 1.020 40.978 49.691 41.275 -99.200 -91.000 TRP 209 1.040 39.423 52.811 31.992 -99.200 -91.000 TRP6 209 1.020 39.389 51.716 29.905 -99.200 -91.000 HIS 212 0.900 44.749 60.539 30.512 -99.200 -91.000 HIS 213 0.900 47.203 53.460 28.375 -99.200 -91.000 TYR 237 0.840 27.025 36.233 23.888 -99.200 -91.000 HIS 240 0.900 28.201 43.567 12.772 -99.200 -91.000 TYR 243 0.840 27.174 46.612 19.189 -99.200 -91.000 TYR 245 0.840 37.361 47.072 14.476 -99.200 -91.000 TYR 247 0.840 35.506 42.120 16.068 -99.200 -91.000 PHE 266 1.000 37.428 33.765 36.107 -99.200 -91.000