============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 40.572 -64.759 9.038 -99.200 -91.000 PHE 29 1.000 36.437 -65.728 3.888 -99.200 -91.000 TYR 32 0.840 38.069 -62.282 12.844 -99.200 -91.000 TRP 36 1.040 38.725 -56.357 -1.326 -99.200 -91.000 TRP6 36 1.020 40.502 -57.514 -2.373 -99.200 -91.000 TRP 47 1.040 38.063 -48.844 3.948 -99.200 -91.000 TRP6 47 1.020 35.746 -48.500 3.541 -99.200 -91.000 TRP 50 1.040 32.772 -52.984 5.449 -99.200 -91.000 TRP6 50 1.020 32.135 -54.628 7.026 -99.200 -91.000 TYR 54 0.840 27.813 -64.409 11.007 -99.200 -91.000 PHE 60 1.000 31.415 -51.562 -3.442 -99.200 -91.000 PHE 64 1.000 38.028 -46.464 -4.741 -99.200 -91.000 PHE 68 1.000 36.446 -49.510 -8.579 -99.200 -91.000 PHE 70 1.000 34.588 -54.611 -2.102 -99.200 -91.000 PHE 71 1.000 31.655 -60.593 -7.700 -99.200 -91.000 TYR 80 0.840 37.476 -64.889 -5.644 -99.200 -91.000 TYR 93 0.840 43.421 -51.913 -7.194 -99.200 -91.000 PHE 94 1.000 48.863 -52.973 -0.223 -99.200 -91.000 TRP 103 1.040 33.560 -50.162 15.284 -99.200 -91.000 TRP6 103 1.020 32.077 -48.396 14.722 -99.200 -91.000 TYR 107 0.840 46.869 -60.359 11.964 -99.200 -91.000 TRP 108 1.040 46.786 -53.933 6.412 -99.200 -91.000 TRP6 108 1.020 46.126 -52.241 4.917 -99.200 -91.000 PHE 127 1.000 71.459 -58.847 -21.237 -99.200 -91.000 TYR 150 0.840 61.046 -54.943 -15.985 -99.200 -91.000 PHE 151 1.000 53.946 -51.939 -20.097 -99.200 -91.000 TRP 159 1.040 70.802 -61.453 -5.713 -99.200 -91.000 TRP6 159 1.020 72.417 -61.802 -7.392 -99.200 -91.000 HIS 169 0.900 72.019 -52.337 -0.929 -99.200 -91.000 PHE 171 1.000 70.631 -50.014 -6.856 -99.200 -91.000 TYR 181 0.840 58.411 -49.716 -15.912 -99.200 -91.000 TYR 199 0.840 78.008 -65.475 -4.261 -99.200 -91.000 HIS 205 0.900 57.562 -59.020 -16.746 -99.200 -91.000