============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 74.337 80.227 -2.790 -99.200 -91.000 TYR 12 0.840 80.789 74.349 -0.907 -99.200 -91.000 TRP 14 1.040 85.650 84.062 3.482 -99.200 -91.000 TRP6 14 1.020 83.873 83.858 5.016 -99.200 -91.000 HIS 19 0.900 76.323 87.357 20.588 -99.200 -91.000 HIS 23 0.900 81.734 97.187 23.061 -99.200 -91.000 TYR 24 0.840 83.002 101.480 18.188 -99.200 -91.000 TRP 26 1.040 79.896 102.810 9.783 -99.200 -91.000 TRP6 26 1.020 82.039 103.527 10.430 -99.200 -91.000 PHE 48 1.000 72.315 97.353 15.554 -99.200 -91.000 HIS 50 0.900 69.855 102.460 8.586 -99.200 -91.000 HIS 59 0.900 64.614 116.685 10.870 -99.200 -91.000 PHE 62 1.000 58.506 103.587 13.214 -99.200 -91.000 TYR 70 0.840 67.738 96.388 18.899 -99.200 -91.000 HIS 79 0.900 81.599 105.909 22.014 -99.200 -91.000 HIS 85 0.900 80.722 106.959 0.221 -99.200 -91.000 HIS 92 0.900 79.242 112.971 -7.616 -99.200 -91.000 TRP 106 1.040 66.934 108.629 0.812 -99.200 -91.000 TRP6 106 1.020 66.002 107.811 2.811 -99.200 -91.000 HIS 109 0.900 64.245 114.391 3.615 -99.200 -91.000 TRP 114 1.040 73.303 122.723 -3.698 -99.200 -91.000 TRP6 114 1.020 72.729 121.691 -5.734 -99.200 -91.000 PHE 115 1.000 67.480 128.116 -0.289 -99.200 -91.000 HIS 117 0.900 75.202 124.333 5.161 -99.200 -91.000 HIS 119 0.900 77.517 133.781 -0.139 -99.200 -91.000 TYR 143 0.840 71.856 121.167 14.230 -99.200 -91.000 TRP 155 1.040 73.231 113.294 24.668 -99.200 -91.000 TRP6 155 1.020 72.974 114.675 22.766 -99.200 -91.000 HIS 164 0.900 82.021 110.096 18.229 -99.200 -91.000 TRP 166 1.040 84.477 110.323 12.746 -99.200 -91.000 TRP6 166 1.020 84.652 108.132 13.630 -99.200 -91.000 PHE 168 1.000 87.323 104.691 3.456 -99.200 -91.000 PHE 174 1.000 95.510 108.248 6.575 -99.200 -91.000 TYR 192 0.840 74.947 122.600 12.275 -99.200 -91.000