============================================================================= 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. TRP 7 1.040 6.021 -12.093 12.557 -99.200 -91.000 TRP6 7 1.020 6.607 -14.192 11.639 -99.200 -91.000 TRP 26 1.040 6.813 9.200 3.298 -99.200 -91.000 TRP6 26 1.020 7.623 8.453 1.213 -99.200 -91.000 PHE 28 1.000 13.429 5.830 8.189 -99.200 -91.000 TRP 38 1.040 14.972 -10.110 0.315 -99.200 -91.000 TRP6 38 1.020 14.472 -10.688 -1.946 -99.200 -91.000 PHE 39 1.000 14.442 -14.175 7.965 -99.200 -91.000 HIS 43 0.900 14.615 -14.424 -1.451 -99.200 -91.000 PHE 72 1.000 4.033 -1.328 0.700 -99.200 -91.000 TRP 74 1.040 8.435 5.472 -7.747 -99.200 -91.000 TRP6 74 1.020 10.471 4.583 -6.948 -99.200 -91.000 TYR 83 0.840 18.052 0.825 -6.532 -99.200 -91.000 TYR 88 0.840 19.609 6.442 -3.293 -99.200 -91.000 TYR 90 0.840 17.085 8.924 6.433 -99.200 -91.000 HIS 105 0.900 21.766 4.299 -5.925 -99.200 -91.000 HIS 114 0.900 -0.281 -2.124 -2.762 -99.200 -91.000 TRP 127 1.040 -2.293 -11.116 5.316 -99.200 -91.000 TRP6 127 1.020 -0.112 -10.210 5.197 -99.200 -91.000 TRP 143 1.040 1.935 6.688 19.529 -99.200 -91.000 TRP6 143 1.020 2.998 5.193 17.993 -99.200 -91.000 TYR 146 0.840 5.266 3.457 25.080 -99.200 -91.000 HIS 161 0.900 5.091 8.152 13.275 -99.200 -91.000 TYR 168 0.840 -1.332 -11.822 17.458 -99.200 -91.000 TYR 175 0.840 1.584 -7.151 24.672 -99.200 -91.000 TRP 176 1.040 -2.634 -4.147 17.562 -99.200 -91.000 TRP6 176 1.020 -2.548 -5.927 15.998 -99.200 -91.000 TRP 182 1.040 9.545 9.133 16.278 -99.200 -91.000 TRP6 182 1.020 7.778 9.684 17.756 -99.200 -91.000 TRP 186 1.040 9.590 7.453 21.870 -99.200 -91.000 TRP6 186 1.020 8.169 5.751 21.015 -99.200 -91.000 TYR 191 0.840 10.809 -2.987 18.299 -99.200 -91.000