============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 3 1.000 -56.858 109.993 -13.163 -99.200 -91.000 TYR 12 0.840 -54.703 117.712 -6.449 -99.200 -91.000 PHE 13 1.000 -52.090 113.338 -11.760 -99.200 -91.000 TRP 16 1.040 -45.046 117.097 -5.652 -99.200 -91.000 TRP6 16 1.020 -45.138 117.121 -3.293 -99.200 -91.000 PHE 24 1.000 -45.904 107.302 -1.714 -99.200 -91.000 HIS 26 0.900 -56.836 108.974 -0.051 -99.200 -91.000 TRP 28 1.040 -63.248 106.108 5.149 -99.200 -91.000 TRP6 28 1.020 -63.654 106.337 7.460 -99.200 -91.000 TRP 35 1.040 -50.046 108.638 0.496 -99.200 -91.000 TRP6 35 1.020 -49.186 106.756 1.628 -99.200 -91.000 TYR 37 0.840 -44.781 115.796 6.991 -99.200 -91.000 TYR 41 0.840 -36.558 109.824 3.615 -99.200 -91.000 TYR 47 0.840 -36.079 106.141 -5.207 -99.200 -91.000 PHE 52 1.000 -55.159 107.361 -5.951 -99.200 -91.000 PHE 57 1.000 -62.766 109.394 0.435 -99.200 -91.000 TRP 64 1.040 -75.744 107.909 -5.964 -99.200 -91.000 TRP6 64 1.020 -76.222 108.561 -3.741 -99.200 -91.000 TYR 69 0.840 -61.228 98.447 -1.821 -99.200 -91.000 PHE 72 1.000 -62.811 103.214 -4.354 -99.200 -91.000 HIS 82 0.900 -53.136 111.682 -17.602 -99.200 -91.000 PHE 93 1.000 -52.653 104.313 6.696 -99.200 -91.000 TYR 103 0.840 -52.639 98.538 -11.667 -99.200 -91.000 HIS 107 0.900 -56.570 97.277 -14.926 -99.200 -91.000 PHE 125 1.000 -61.067 96.461 8.679 -99.200 -91.000 TYR 131 0.840 -60.038 86.104 7.811 -99.200 -91.000 PHE 140 1.000 -65.938 96.911 9.238 -99.200 -91.000 PHE 143 1.000 -66.445 101.759 12.857 -99.200 -91.000 PHE 154 1.000 -67.009 107.305 12.832 -99.200 -91.000 PHE 158 1.000 -61.461 105.954 12.835 -99.200 -91.000 PHE 162 1.000 -55.749 107.246 11.233 -99.200 -91.000 TYR 163 0.840 -53.320 110.565 13.674 -99.200 -91.000 PHE 198 1.000 -63.321 100.876 5.358 -99.200 -91.000 PHE 203 1.000 -59.301 94.155 -1.128 -99.200 -91.000 HIS 218 0.900 -51.408 96.008 9.870 -99.200 -91.000 PHE 227 1.000 -49.095 91.716 12.918 -99.200 -91.000 TYR 246 0.840 -42.710 100.540 11.257 -99.200 -91.000 HIS 251 0.900 -55.064 101.989 10.220 -99.200 -91.000 PHE 253 1.000 -47.508 102.090 9.772 -99.200 -91.000 HIS 257 0.900 -44.186 104.128 15.109 -99.200 -91.000 PHE 268 1.000 -40.300 96.951 -1.547 -99.200 -91.000