============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 4 0.840 52.877 34.677 79.371 -99.200 -91.000 TRP 23 1.040 37.488 36.256 76.706 -99.200 -91.000 TRP6 23 1.020 38.719 34.335 77.269 -99.200 -91.000 TYR 26 0.840 35.440 39.333 85.069 -99.200 -91.000 TYR 30 0.840 36.159 30.481 88.716 -99.200 -91.000 TYR 48 0.840 48.394 40.947 70.694 -99.200 -91.000 PHE 54 1.000 49.941 37.348 68.025 -99.200 -91.000 TYR 66 0.840 48.299 25.267 79.526 -99.200 -91.000 PHE 71 1.000 44.341 39.122 68.518 -99.200 -91.000 HIS 73 0.900 34.274 40.803 68.672 -99.200 -91.000 TYR 95 0.840 53.159 43.666 48.875 -99.200 -91.000 TYR 98 0.840 48.344 51.930 59.737 -99.200 -91.000 PHE 108 1.000 41.642 35.514 62.223 -99.200 -91.000 TYR 111 0.840 48.952 39.334 60.066 -99.200 -91.000 PHE 119 1.000 52.889 33.086 71.155 -99.200 -91.000 TRP 137 1.040 19.430 37.186 73.086 -99.200 -91.000 TRP6 137 1.020 17.270 36.426 72.555 -99.200 -91.000 PHE 142 1.000 20.947 33.219 69.683 -99.200 -91.000 PHE 149 1.000 37.831 37.944 60.358 -99.200 -91.000 TYR 152 0.840 38.647 32.881 57.106 -99.200 -91.000 TYR 164 0.840 38.243 26.229 66.948 -99.200 -91.000 HIS 167 0.900 35.334 32.616 74.526 -99.200 -91.000 TRP 168 1.040 29.983 32.216 67.076 -99.200 -91.000 TRP6 168 1.020 29.929 34.466 66.511 -99.200 -91.000 TYR 170 0.840 31.149 24.962 74.338 -99.200 -91.000 TYR 175 0.840 26.323 36.499 75.101 -99.200 -91.000 TYR 186 0.840 25.224 39.616 80.351 -99.200 -91.000 PHE 187 1.000 26.998 42.424 74.109 -99.200 -91.000 HIS 191 0.900 27.373 45.769 66.867 -99.200 -91.000 HIS 193 0.900 34.088 48.087 73.311 -99.200 -91.000 PHE 206 1.000 39.125 29.703 76.803 -99.200 -91.000 PHE 226 1.000 34.115 26.298 84.739 -99.200 -91.000