============================================================================= 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. HIS 2 0.900 -31.769 82.851 45.363 -99.200 -91.000 TYR 7 0.840 -24.998 92.846 33.958 -99.200 -91.000 PHE 19 1.000 -22.778 78.343 46.650 -99.200 -91.000 PHE 26 1.000 -28.199 88.288 28.648 -99.200 -91.000 TYR 27 0.840 -36.288 81.106 28.466 -99.200 -91.000 PHE 48 1.000 -26.361 84.447 26.696 -99.200 -91.000 TRP 59 1.040 -21.281 84.886 44.807 -99.200 -91.000 TRP6 59 1.020 -21.048 82.649 44.083 -99.200 -91.000 HIS 75 0.900 -23.392 75.794 23.882 -99.200 -91.000 PHE 76 1.000 -20.999 77.633 17.697 -99.200 -91.000 HIS 77 0.900 -24.927 78.296 20.137 -99.200 -91.000 TYR 87 0.840 -15.089 82.426 32.798 -99.200 -91.000 TRP 95 1.040 -8.535 73.535 30.532 -99.200 -91.000 TRP6 95 1.020 -7.200 72.023 29.285 -99.200 -91.000 PHE 116 1.000 -26.376 96.740 8.803 -99.200 -91.000 TYR 117 0.840 -22.619 97.320 11.985 -99.200 -91.000 HIS 130 0.900 -16.768 89.396 16.341 -99.200 -91.000 PHE 138 1.000 -12.377 68.849 25.800 -99.200 -91.000 PHE 146 1.000 -10.141 69.943 33.500 -99.200 -91.000 PHE 148 1.000 -9.549 70.450 38.937 -99.200 -91.000 PHE 157 1.000 -19.580 65.198 20.535 -99.200 -91.000 HIS 162 0.900 -28.177 74.584 21.977 -99.200 -91.000 TYR 170 0.840 -21.073 62.031 36.853 -99.200 -91.000 PHE 171 1.000 -18.349 69.239 38.648 -99.200 -91.000 PHE 178 1.000 -23.947 73.429 33.099 -99.200 -91.000 TYR 189 0.840 -30.397 79.439 16.930 -99.200 -91.000 TRP 198 1.040 -31.095 67.052 21.974 -99.200 -91.000 TRP6 198 1.020 -31.353 69.348 21.476 -99.200 -91.000 PHE 208 1.000 -21.714 61.129 32.092 -99.200 -91.000 HIS 217 0.900 -31.196 79.335 28.718 -99.200 -91.000 TRP 220 1.040 -31.131 72.581 40.320 -99.200 -91.000 TRP6 220 1.020 -30.729 74.913 40.150 -99.200 -91.000