============================================================================= 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. PHE 1 1.000 127.091 54.049 -19.728 -99.200 -91.000 TYR 8 0.840 126.506 47.718 -36.794 -99.200 -91.000 TYR 10 0.840 132.366 54.541 -37.448 -99.200 -91.000 PHE 21 1.000 143.119 37.736 -27.078 -99.200 -91.000 PHE 41 1.000 121.360 23.306 8.058 -99.200 -91.000 TRP 73 1.040 133.817 21.442 4.664 -99.200 -91.000 TRP6 73 1.020 132.553 21.249 6.651 -99.200 -91.000 PHE 84 1.000 122.920 29.124 10.238 -99.200 -91.000 TYR 100 0.840 121.007 32.741 28.802 -99.200 -91.000 PHE 117 1.000 139.925 21.555 11.461 -99.200 -91.000 PHE 131 1.000 119.233 28.348 20.885 -99.200 -91.000 HIS 134 0.900 107.707 31.380 21.230 -99.200 -91.000 TYR 145 0.840 105.273 43.039 18.095 -99.200 -91.000 HIS 162 0.900 126.797 32.474 19.964 -99.200 -91.000 HIS 192 0.900 134.402 38.841 24.852 -99.200 -91.000 TYR 200 0.840 121.878 36.447 9.168 -99.200 -91.000 TYR 204 0.840 114.160 42.205 1.374 -99.200 -91.000 TYR 208 0.840 112.879 32.220 -3.386 -99.200 -91.000 TYR 209 0.840 114.213 33.196 4.712 -99.200 -91.000 PHE 212 1.000 118.123 27.658 8.652 -99.200 -91.000 TYR 230 0.840 109.937 38.634 13.491 -99.200 -91.000 HIS 242 0.900 115.764 55.043 5.191 -99.200 -91.000 TYR 262 0.840 114.666 39.369 -1.713 -99.200 -91.000 PHE 273 1.000 124.296 52.348 3.312 -99.200 -91.000 PHE 278 1.000 130.807 39.459 4.227 -99.200 -91.000 TYR 280 0.840 122.481 32.007 4.625 -99.200 -91.000 TYR 286 0.840 122.289 22.679 -1.821 -99.200 -91.000 HIS 289 0.900 120.301 27.665 -8.391 -99.200 -91.000 TRP 297 1.040 113.985 18.741 -15.548 -99.200 -91.000 TRP6 297 1.020 112.327 19.305 -13.951 -99.200 -91.000 PHE 310 1.000 124.467 35.038 -4.655 -99.200 -91.000 TYR 321 0.840 122.566 26.264 3.111 -99.200 -91.000 PHE 322 1.000 124.627 24.734 -5.050 -99.200 -91.000