============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 25.951 3.232 40.706 -99.200 -91.000 PHE 29 1.000 28.333 8.756 38.549 -99.200 -91.000 TYR 32 0.840 30.736 0.936 41.626 -99.200 -91.000 TRP 33 1.040 37.579 2.569 36.069 -99.200 -91.000 TRP6 33 1.020 39.072 3.304 34.386 -99.200 -91.000 TRP 36 1.040 28.116 7.455 27.762 -99.200 -91.000 TRP6 36 1.020 25.760 7.658 27.909 -99.200 -91.000 TRP 47 1.040 33.741 0.942 26.068 -99.200 -91.000 TRP6 47 1.020 35.715 1.881 25.162 -99.200 -91.000 TYR 59 0.840 41.580 4.835 28.870 -99.200 -91.000 TYR 60 0.840 36.574 9.684 24.297 -99.200 -91.000 PHE 68 1.000 30.155 9.884 19.194 -99.200 -91.000 PHE 80 1.000 26.233 15.311 32.291 -99.200 -91.000 TYR 94 0.840 24.808 5.909 20.897 -99.200 -91.000 PHE 95 1.000 21.339 -0.565 25.678 -99.200 -91.000 PHE 100 1.000 31.875 -7.054 38.500 -99.200 -91.000 TYR 103 0.840 42.415 -7.458 43.576 -99.200 -91.000 HIS 106 0.900 45.082 -16.812 41.466 -99.200 -91.000 TYR 109 0.840 48.984 -14.815 38.881 -99.200 -91.000 TYR 111 0.840 40.956 -10.252 33.936 -99.200 -91.000 TRP 115 1.040 24.620 -3.518 31.011 -99.200 -91.000 TRP6 115 1.020 25.448 -3.240 28.809 -99.200 -91.000 PHE 134 1.000 0.949 5.202 -5.457 -99.200 -91.000 TYR 150 0.840 5.853 5.898 6.416 -99.200 -91.000 PHE 151 1.000 13.063 10.424 8.180 -99.200 -91.000 TRP 159 1.040 -8.182 -1.072 6.256 -99.200 -91.000 TRP6 159 1.020 -8.060 -0.879 3.901 -99.200 -91.000 HIS 169 0.900 -0.656 -9.027 9.297 -99.200 -91.000 PHE 171 1.000 1.790 -7.837 6.417 -99.200 -91.000 TYR 181 0.840 11.249 4.602 8.465 -99.200 -91.000 TYR 199 0.840 -14.441 -3.428 1.278 -99.200 -91.000 HIS 205 0.900 4.352 11.043 7.938 -99.200 -91.000