============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 8 1.040 32.937 10.404 -8.162 -99.200 -91.000 TRP6 8 1.020 34.091 8.554 -9.087 -99.200 -91.000 TYR 18 0.840 52.917 8.937 0.390 -99.200 -91.000 TRP 25 1.040 36.658 1.732 -9.874 -99.200 -91.000 TRP6 25 1.020 36.158 0.287 -11.688 -99.200 -91.000 PHE 42 1.000 42.540 3.271 2.848 -99.200 -91.000 HIS 49 0.900 31.024 -1.049 -2.346 -99.200 -91.000 TYR 58 0.840 42.774 0.192 -6.046 -99.200 -91.000 TYR 62 0.840 46.497 9.469 -6.124 -99.200 -91.000 PHE 63 1.000 55.500 9.578 -5.020 -99.200 -91.000 HIS 66 0.900 43.203 7.478 -9.548 -99.200 -91.000 TRP 67 1.040 41.310 8.241 -14.802 -99.200 -91.000 TRP6 67 1.020 41.981 6.183 -13.861 -99.200 -91.000 TRP 90 1.040 49.465 -0.928 2.071 -99.200 -91.000 TRP6 90 1.020 48.157 -2.521 0.885 -99.200 -91.000 TRP 100 1.040 38.337 -8.858 1.088 -99.200 -91.000 TRP6 100 1.020 40.611 -9.157 1.696 -99.200 -91.000 TYR 104 0.840 51.931 -1.587 -3.532 -99.200 -91.000 TRP 107 1.040 46.514 3.310 -12.938 -99.200 -91.000 TRP6 107 1.020 45.257 2.131 -14.573 -99.200 -91.000 PHE 108 1.000 54.142 1.490 -15.525 -99.200 -91.000 TYR 118 0.840 46.478 6.379 -15.981 -99.200 -91.000 TRP 127 1.040 45.825 -8.835 -7.911 -99.200 -91.000 TRP6 127 1.020 43.766 -10.000 -7.921 -99.200 -91.000 TRP 130 1.040 43.885 -14.304 -2.795 -99.200 -91.000 TRP6 130 1.020 46.229 -14.095 -3.072 -99.200 -91.000 TRP 151 1.040 56.271 -11.988 -6.894 -99.200 -91.000 TRP6 151 1.020 54.897 -10.725 -5.445 -99.200 -91.000 TRP 154 1.040 47.295 -14.519 -12.837 -99.200 -91.000 TRP6 154 1.020 45.481 -15.917 -13.415 -99.200 -91.000 TYR 155 0.840 49.271 -9.189 -21.883 -99.200 -91.000 TRP 158 1.040 41.415 -6.375 -20.508 -99.200 -91.000 TRP6 158 1.020 41.564 -6.068 -18.165 -99.200 -91.000 TRP 160 1.040 44.394 -0.687 -18.837 -99.200 -91.000 TRP6 160 1.020 42.298 0.399 -18.866 -99.200 -91.000 TYR 162 0.840 44.693 -7.005 -15.094 -99.200 -91.000 TYR 165 0.840 54.427 -8.945 -12.412 -99.200 -91.000 PHE 182 1.000 57.044 -7.148 -8.230 -99.200 -91.000 TYR 191 0.840 53.228 -9.035 -20.958 -99.200 -91.000 TRP 196 1.040 54.399 3.279 -23.527 -99.200 -91.000 TRP6 196 1.020 53.152 1.291 -23.225 -99.200 -91.000 TYR 197 0.840 56.230 10.626 -20.278 -99.200 -91.000 HIS 199 0.900 50.912 9.279 -16.578 -99.200 -91.000 PHE 205 1.000 42.616 -2.792 1.697 -99.200 -91.000 TRP 208 1.040 35.260 -8.355 -7.802 -99.200 -91.000 TRP6 208 1.020 37.567 -8.230 -7.289 -99.200 -91.000 PHE 219 1.000 51.403 4.199 -0.584 -99.200 -91.000