============================================================================= 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. TRP 12 1.040 -3.772 40.039 42.680 -99.200 -91.000 TRP6 12 1.020 -4.730 40.144 44.840 -99.200 -91.000 TYR 20 0.840 0.904 21.186 28.716 -99.200 -91.000 TRP 26 1.040 8.573 25.986 27.758 -99.200 -91.000 TRP6 26 1.020 8.807 24.300 29.400 -99.200 -91.000 HIS 28 0.900 -1.747 29.123 33.052 -99.200 -91.000 TRP 39 1.040 10.463 23.980 48.945 -99.200 -91.000 TRP6 39 1.020 9.856 21.770 48.380 -99.200 -91.000 HIS 45 0.900 -7.282 16.718 38.399 -99.200 -91.000 PHE 53 1.000 3.722 19.347 35.047 -99.200 -91.000 HIS 60 0.900 -0.436 41.851 34.027 -99.200 -91.000 TYR 71 0.840 10.302 32.804 31.186 -99.200 -91.000 HIS 80 0.900 -1.823 14.825 52.065 -99.200 -91.000 TYR 82 0.840 -4.254 9.411 53.994 -99.200 -91.000 TRP 83 1.040 -4.158 13.655 43.842 -99.200 -91.000 TRP6 83 1.020 -6.210 14.799 43.715 -99.200 -91.000 TYR 91 0.840 -6.717 13.727 52.242 -99.200 -91.000 TYR 107 0.840 7.333 44.205 38.499 -99.200 -91.000 TYR 127 0.840 -10.517 41.256 45.169 -99.200 -91.000 TRP 131 1.040 -2.065 34.737 33.371 -99.200 -91.000 TRP6 131 1.020 -0.635 34.244 35.175 -99.200 -91.000 TYR 148 0.840 -15.563 41.006 47.044 -99.200 -91.000 TYR 154 0.840 -18.737 21.343 56.262 -99.200 -91.000 TYR 160 0.840 -25.271 27.353 48.445 -99.200 -91.000 TRP 161 1.040 -19.858 22.873 45.326 -99.200 -91.000 TRP6 161 1.020 -19.381 21.608 43.393 -99.200 -91.000 HIS 190 0.900 -4.065 36.226 46.038 -99.200 -91.000 TYR 197 0.840 -6.084 41.723 50.029 -99.200 -91.000 HIS 200 0.900 -7.309 32.556 54.913 -99.200 -91.000 PHE 205 1.000 -14.514 20.376 43.957 -99.200 -91.000 PHE 220 1.000 -11.119 28.896 45.702 -99.200 -91.000 TYR 226 0.840 -4.446 19.837 53.226 -99.200 -91.000 TRP 229 1.040 1.824 17.035 53.323 -99.200 -91.000 TRP6 229 1.020 1.789 18.278 51.305 -99.200 -91.000