============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 5 0.840 9.898 17.741 21.972 -99.200 -91.000 HIS 11 0.900 6.905 1.581 31.428 -99.200 -91.000 TYR 12 0.840 4.088 3.399 29.369 -99.200 -91.000 HIS 14 0.900 14.921 2.090 29.023 -99.200 -91.000 HIS 36 0.900 7.733 23.311 35.348 -99.200 -91.000 TYR 47 0.840 -4.373 13.616 22.740 -99.200 -91.000 TYR 61 0.840 0.272 12.469 19.621 -99.200 -91.000 TYR 68 0.840 7.920 7.140 11.387 -99.200 -91.000 TYR 73 0.840 14.520 5.763 10.545 -99.200 -91.000 HIS 75 0.900 17.588 -3.501 5.910 -99.200 -91.000 TYR 81 0.840 6.154 -14.428 5.385 -99.200 -91.000 HIS 92 0.900 -4.002 -6.094 24.837 -99.200 -91.000 TRP 98 1.040 4.291 -9.287 32.939 -99.200 -91.000 TRP6 98 1.020 5.660 -10.270 31.268 -99.200 -91.000 PHE 133 1.000 11.952 -14.327 29.232 -99.200 -91.000 PHE 136 1.000 10.542 -19.414 21.342 -99.200 -91.000 PHE 139 1.000 8.221 -12.735 26.672 -99.200 -91.000 TRP 155 1.040 17.587 -0.101 33.862 -99.200 -91.000 TRP6 155 1.020 19.756 -1.003 33.710 -99.200 -91.000 TYR 174 0.840 15.146 -11.296 27.442 -99.200 -91.000 PHE 178 1.000 18.740 -5.566 31.933 -99.200 -91.000 PHE 183 1.000 18.815 -2.073 28.389 -99.200 -91.000