============================================================================= 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. TYR 2 0.840 -43.289 9.207 9.670 -99.200 -91.000 PHE 7 1.000 -32.477 26.837 5.610 -99.200 -91.000 TYR 17 0.840 -27.603 26.292 9.063 -99.200 -91.000 PHE 20 1.000 -33.268 23.280 8.463 -99.200 -91.000 HIS 36 0.900 -21.873 12.431 32.063 -99.200 -91.000 PHE 53 1.000 -38.434 6.756 8.961 -99.200 -91.000 HIS 61 0.900 -33.216 33.404 -6.457 -99.200 -91.000 TYR 76 0.840 -27.812 6.897 7.225 -99.200 -91.000 TYR 80 0.840 -34.196 12.967 -3.341 -99.200 -91.000 TYR 87 0.840 -36.145 9.278 -6.784 -99.200 -91.000 PHE 88 1.000 -37.949 5.758 0.421 -99.200 -91.000 PHE 89 1.000 -28.833 7.880 0.612 -99.200 -91.000 HIS 90 0.900 -29.350 -2.354 0.742 -99.200 -91.000 HIS 102 0.900 -44.964 1.987 8.319 -99.200 -91.000 PHE 104 1.000 -40.671 11.180 1.552 -99.200 -91.000 TYR 111 0.840 -37.289 5.254 -9.558 -99.200 -91.000 PHE 113 1.000 -30.958 6.674 -4.828 -99.200 -91.000 PHE 115 1.000 -26.673 5.180 -4.423 -99.200 -91.000 TYR 119 0.840 -20.255 11.791 5.510 -99.200 -91.000 TYR 148 0.840 -37.959 19.615 -9.215 -99.200 -91.000 TYR 149 0.840 -34.268 20.856 -12.684 -99.200 -91.000 TYR 150 0.840 -31.814 10.284 -9.482 -99.200 -91.000 PHE 164 1.000 -28.788 11.835 -2.125 -99.200 -91.000 PHE 177 1.000 -20.497 16.077 15.905 -99.200 -91.000 TYR 179 0.840 -15.917 23.047 15.542 -99.200 -91.000 TYR 190 0.840 -18.361 36.736 8.365 -99.200 -91.000 TRP 207 1.040 -23.138 11.880 16.591 -99.200 -91.000 TRP6 207 1.020 -24.962 10.584 15.855 -99.200 -91.000 PHE 222 1.000 -14.581 10.891 26.803 -99.200 -91.000 PHE 236 1.000 -8.784 18.737 20.258 -99.200 -91.000 TYR 239 0.840 -6.501 13.296 27.813 -99.200 -91.000 TYR 253 0.840 -29.998 3.547 24.067 -99.200 -91.000