============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TRP 5 1.040 117.137 51.146 -10.699 -99.200 -91.000 TRP6 5 1.020 118.224 51.860 -12.688 -99.200 -91.000 HIS 10 0.900 104.616 43.997 -6.005 -99.200 -91.000 TRP 14 1.040 106.984 43.170 -17.573 -99.200 -91.000 TRP6 14 1.020 106.008 45.324 -17.437 -99.200 -91.000 TYR 19 0.840 112.763 29.734 -7.803 -99.200 -91.000 HIS 20 0.900 115.654 24.492 -14.949 -99.200 -91.000 PHE 21 1.000 112.125 18.711 -9.582 -99.200 -91.000 PHE 24 1.000 116.196 33.069 -10.490 -99.200 -91.000 HIS 32 0.900 96.663 34.429 -23.458 -99.200 -91.000 TRP 35 1.040 99.582 30.748 -23.715 -99.200 -91.000 TRP6 35 1.020 100.607 28.864 -24.702 -99.200 -91.000 HIS 41 0.900 119.414 30.339 -22.083 -99.200 -91.000 TYR 47 0.840 109.667 24.786 -16.892 -99.200 -91.000 TRP 50 1.040 107.633 30.885 -7.235 -99.200 -91.000 TRP6 50 1.020 106.091 30.756 -5.446 -99.200 -91.000 HIS 54 0.900 111.200 44.068 -5.084 -99.200 -91.000 PHE 57 1.000 116.359 33.279 -1.243 -99.200 -91.000 PHE 65 1.000 104.275 26.793 -7.537 -99.200 -91.000 HIS 67 0.900 100.721 23.934 -10.114 -99.200 -91.000 PHE 72 1.000 103.131 24.478 -26.310 -99.200 -91.000 HIS 74 0.900 111.365 29.544 -33.308 -99.200 -91.000 PHE 77 1.000 118.382 27.136 -27.857 -99.200 -91.000 TYR 90 0.840 123.798 29.620 -27.271 -99.200 -91.000 HIS 92 0.900 115.819 30.981 -34.981 -99.200 -91.000 TRP 131 1.040 114.552 38.383 -8.337 -99.200 -91.000 TRP6 131 1.020 112.592 38.016 -9.614 -99.200 -91.000 PHE 139 1.000 128.786 34.763 -12.601 -99.200 -91.000 PHE 141 1.000 123.618 34.154 -8.804 -99.200 -91.000 HIS 162 0.900 129.431 39.163 -27.669 -99.200 -91.000 PHE 169 1.000 116.064 34.928 -37.440 -99.200 -91.000 HIS 175 0.900 124.347 51.831 -21.068 -99.200 -91.000 TRP 203 1.040 123.779 35.201 -27.162 -99.200 -91.000 TRP6 203 1.020 125.876 35.950 -27.978 -99.200 -91.000 TYR 205 0.840 133.883 38.763 -22.193 -99.200 -91.000 TYR 223 0.840 112.273 34.700 -32.789 -99.200 -91.000 TRP 226 1.040 107.039 29.832 -32.479 -99.200 -91.000 TRP6 226 1.020 107.630 30.170 -30.205 -99.200 -91.000