============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 22 1.040 28.027 16.082 60.910 -99.200 -91.000 TRP6 22 1.020 27.753 17.646 62.677 -99.200 -91.000 TYR 78 0.840 26.784 34.920 53.865 -99.200 -91.000 HIS 82 0.900 29.835 38.942 50.570 -99.200 -91.000 TYR 84 0.840 33.118 32.547 61.743 -99.200 -91.000 TYR 86 0.840 33.812 21.286 66.094 -99.200 -91.000 PHE 87 1.000 38.997 21.859 59.579 -99.200 -91.000 TYR 99 0.840 29.323 31.262 48.944 -99.200 -91.000 PHE 116 1.000 38.781 27.285 70.756 -99.200 -91.000 HIS 125 0.900 31.322 9.659 72.493 -99.200 -91.000 PHE 132 1.000 29.095 33.120 64.396 -99.200 -91.000 TYR 138 0.840 26.631 30.650 72.530 -99.200 -91.000 PHE 174 1.000 33.511 27.696 84.683 -99.200 -91.000 TYR 180 0.840 27.252 29.878 77.848 -99.200 -91.000 TYR 182 0.840 31.601 21.933 84.740 -99.200 -91.000 HIS 184 0.900 27.079 19.886 78.152 -99.200 -91.000 TRP 192 1.040 20.884 30.846 71.846 -99.200 -91.000 TRP6 192 1.020 22.394 29.971 70.236 -99.200 -91.000 PHE 199 1.000 15.617 25.374 75.686 -99.200 -91.000 PHE 203 1.000 24.547 11.868 69.172 -99.200 -91.000 TRP 208 1.040 17.648 7.578 81.057 -99.200 -91.000 TRP6 208 1.020 15.469 7.182 80.234 -99.200 -91.000 TYR 220 0.840 23.764 21.535 81.673 -99.200 -91.000 TRP 222 1.040 29.859 11.509 79.743 -99.200 -91.000 TRP6 222 1.020 28.656 9.472 79.814 -99.200 -91.000 PHE 234 1.000 26.973 15.679 88.695 -99.200 -91.000 HIS 235 0.900 20.435 22.808 84.427 -99.200 -91.000 TRP 241 1.040 13.158 11.756 73.653 -99.200 -91.000 TRP6 241 1.020 14.077 13.901 74.040 -99.200 -91.000 TYR 253 0.840 11.939 28.494 70.015 -99.200 -91.000 TRP 259 1.040 10.176 21.959 65.843 -99.200 -91.000 TRP6 259 1.020 8.309 20.552 65.446 -99.200 -91.000 TRP 268 1.040 12.246 11.971 69.427 -99.200 -91.000 TRP6 268 1.020 10.419 11.151 70.689 -99.200 -91.000 PHE 284 1.000 5.075 15.100 65.046 -99.200 -91.000 TYR 289 0.840 10.891 11.278 54.416 -99.200 -91.000 TRP 304 1.040 15.643 25.222 55.220 -99.200 -91.000 TRP6 304 1.020 14.553 25.084 53.121 -99.200 -91.000