============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 77.697 27.071 96.552 -99.200 -91.000 TYR 20 0.840 97.778 37.956 108.200 -99.200 -91.000 TYR 28 0.840 94.793 41.889 104.111 -99.200 -91.000 HIS 29 0.900 89.556 44.431 110.729 -99.200 -91.000 TYR 31 0.840 91.581 36.753 105.310 -99.200 -91.000 TRP 47 1.040 81.908 20.166 97.262 -99.200 -91.000 TRP6 47 1.020 80.320 21.904 97.472 -99.200 -91.000 PHE 53 1.000 95.805 37.663 103.211 -99.200 -91.000 TYR 57 0.840 99.150 37.793 98.055 -99.200 -91.000 HIS 61 0.900 87.437 42.891 92.615 -99.200 -91.000 HIS 84 0.900 95.351 16.963 83.265 -99.200 -91.000 TRP 88 1.040 95.565 26.183 81.861 -99.200 -91.000 TRP6 88 1.020 95.169 27.065 84.026 -99.200 -91.000 HIS 98 0.900 90.357 38.121 84.741 -99.200 -91.000 TRP 110 1.040 93.240 18.624 88.574 -99.200 -91.000 TRP6 110 1.020 94.713 16.800 88.172 -99.200 -91.000 HIS 154 0.900 100.573 30.083 114.759 -99.200 -91.000 PHE 159 1.000 100.597 25.570 112.636 -99.200 -91.000 HIS 162 0.900 106.623 29.132 113.565 -99.200 -91.000 TRP 194 1.040 112.521 26.799 105.656 -99.200 -91.000 TRP6 194 1.020 110.793 27.756 104.375 -99.200 -91.000 TYR 195 0.840 111.737 30.335 112.738 -99.200 -91.000 HIS 207 0.900 112.479 48.590 105.123 -99.200 -91.000 TRP 230 1.040 111.826 39.702 86.670 -99.200 -91.000 TRP6 230 1.020 110.564 37.818 87.357 -99.200 -91.000 PHE 307 1.000 95.081 21.633 105.922 -99.200 -91.000 HIS 312 0.900 94.285 14.803 99.192 -99.200 -91.000 HIS 320 0.900 116.656 17.652 97.738 -99.200 -91.000 PHE 372 1.000 77.235 30.525 85.585 -99.200 -91.000