============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 27 0.840 40.022 -62.657 30.577 -99.200 -91.000 PHE 29 1.000 39.914 -60.220 23.738 -99.200 -91.000 TYR 32 0.840 36.793 -59.589 33.094 -99.200 -91.000 TRP 33 1.040 34.901 -51.785 29.300 -99.200 -91.000 TRP6 33 1.020 35.284 -50.166 27.620 -99.200 -91.000 HIS 35 0.900 40.505 -49.766 31.205 -99.200 -91.000 TRP 36 1.040 46.058 -51.427 25.390 -99.200 -91.000 TRP6 36 1.020 47.952 -52.712 24.784 -99.200 -91.000 TRP 47 1.040 42.985 -45.503 31.323 -99.200 -91.000 TRP6 47 1.020 41.253 -44.236 30.334 -99.200 -91.000 TYR 52 0.840 32.464 -55.320 26.586 -99.200 -91.000 TYR 60 0.840 41.134 -44.104 21.974 -99.200 -91.000 PHE 64 1.000 48.662 -41.486 26.204 -99.200 -91.000 TYR 80 0.840 46.314 -57.418 17.712 -99.200 -91.000 TYR 93 0.840 53.606 -47.492 25.692 -99.200 -91.000 TYR 94 0.840 53.452 -52.187 33.219 -99.200 -91.000 TRP 98 1.040 36.926 -51.318 35.230 -99.200 -91.000 TRP6 98 1.020 38.096 -50.333 37.042 -99.200 -91.000 HIS 100 0.900 30.362 -57.954 32.037 -99.200 -91.000 TYR 101 0.840 26.237 -51.421 36.142 -99.200 -91.000 TYR 102 0.840 26.449 -60.087 36.340 -99.200 -91.000 TYR 106 0.840 31.958 -52.375 38.792 -99.200 -91.000 PHE 107 1.000 42.667 -50.446 35.673 -99.200 -91.000 TYR 109 0.840 44.242 -62.328 37.589 -99.200 -91.000 TRP 110 1.040 47.589 -54.455 36.755 -99.200 -91.000 TRP6 110 1.020 48.057 -52.262 35.999 -99.200 -91.000 TYR 129 0.840 87.065 -49.575 26.298 -99.200 -91.000 TYR 152 0.840 75.160 -51.635 25.795 -99.200 -91.000 PHE 153 1.000 69.604 -48.544 19.784 -99.200 -91.000 TRP 161 1.040 81.950 -58.858 37.840 -99.200 -91.000 TRP6 161 1.020 83.929 -57.853 37.020 -99.200 -91.000 HIS 171 0.900 77.248 -52.665 44.891 -99.200 -91.000 PHE 173 1.000 77.227 -49.056 40.051 -99.200 -91.000 TYR 182 0.840 70.566 -47.914 25.627 -99.200 -91.000 TRP 195 1.040 93.050 -58.877 40.683 -99.200 -91.000 TRP6 195 1.020 94.112 -56.760 40.739 -99.200 -91.000 HIS 206 0.900 74.633 -55.635 22.076 -99.200 -91.000