============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 17 1.040 33.375 5.204 70.122 -99.200 -91.000 TRP6 17 1.020 31.554 6.321 69.100 -99.200 -91.000 TYR 19 0.840 36.137 11.694 80.973 -99.200 -91.000 TYR 27 0.840 27.532 8.150 81.070 -99.200 -91.000 HIS 30 0.900 31.447 -2.272 76.453 -99.200 -91.000 TYR 43 0.840 24.920 -1.423 59.267 -99.200 -91.000 TYR 47 0.840 21.549 4.625 70.736 -99.200 -91.000 PHE 54 1.000 21.214 -6.608 80.915 -99.200 -91.000 PHE 55 1.000 28.592 -4.602 72.860 -99.200 -91.000 PHE 58 1.000 19.876 -6.503 73.838 -99.200 -91.000 HIS 59 0.900 28.825 -8.663 68.642 -99.200 -91.000 TYR 84 0.840 26.929 3.575 83.912 -99.200 -91.000 PHE 90 1.000 23.208 -5.292 86.251 -99.200 -91.000 TYR 97 0.840 22.430 12.074 88.972 -99.200 -91.000 PHE 99 1.000 19.781 3.100 84.058 -99.200 -91.000 TRP 108 1.040 17.679 6.692 101.294 -99.200 -91.000 TRP6 108 1.020 18.119 4.370 101.560 -99.200 -91.000 HIS 115 0.900 17.059 17.740 81.786 -99.200 -91.000 PHE 117 1.000 21.757 7.465 80.872 -99.200 -91.000 PHE 118 1.000 15.814 12.309 76.098 -99.200 -91.000 PHE 120 1.000 26.662 10.476 77.442 -99.200 -91.000 PHE 133 1.000 29.920 2.982 64.236 -99.200 -91.000 PHE 143 1.000 17.483 -4.447 77.497 -99.200 -91.000 HIS 145 0.900 16.143 -6.646 83.848 -99.200 -91.000 PHE 150 1.000 16.655 7.096 80.702 -99.200 -91.000 HIS 153 0.900 11.378 10.313 82.615 -99.200 -91.000 PHE 156 1.000 4.497 6.077 80.771 -99.200 -91.000 PHE 162 1.000 15.958 6.113 72.428 -99.200 -91.000 TYR 165 0.840 10.469 4.131 73.698 -99.200 -91.000 PHE 166 1.000 13.851 -6.552 74.765 -99.200 -91.000 TRP 173 1.040 9.989 -1.336 92.606 -99.200 -91.000 TRP6 173 1.020 11.329 -0.192 94.184 -99.200 -91.000 TRP 174 1.040 13.122 4.409 92.426 -99.200 -91.000 TRP6 174 1.020 13.007 6.728 91.931 -99.200 -91.000 PHE 195 1.000 9.837 7.967 61.632 -99.200 -91.000 PHE 200 1.000 9.064 -8.284 74.057 -99.200 -91.000 HIS 210 0.900 3.597 -4.898 96.257 -99.200 -91.000 HIS 226 0.900 -2.561 7.130 68.058 -99.200 -91.000 PHE 231 1.000 2.004 -3.552 75.612 -99.200 -91.000 PHE 233 1.000 2.980 -8.709 80.138 -99.200 -91.000 TYR 234 0.840 7.702 -14.345 76.948 -99.200 -91.000 HIS 241 0.900 14.869 -7.682 88.477 -99.200 -91.000 PHE 255 1.000 6.898 -5.248 69.353 -99.200 -91.000 TYR 258 0.840 12.529 -1.418 61.971 -99.200 -91.000