============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 16 0.840 65.618 176.787 -79.662 -99.200 -91.000 PHE 27 1.000 53.278 172.494 -68.163 -99.200 -91.000 HIS 58 0.900 88.949 189.958 -86.595 -99.200 -91.000 TYR 59 0.840 89.127 184.300 -87.666 -99.200 -91.000 TYR 60 0.840 89.434 189.441 -97.512 -99.200 -91.000 HIS 61 0.900 90.859 194.350 -90.935 -99.200 -91.000 HIS 64 0.900 93.276 191.980 -98.937 -99.200 -91.000 PHE 68 1.000 96.659 185.743 -89.867 -99.200 -91.000 HIS 102 0.900 69.215 165.146 -81.948 -99.200 -91.000 PHE 104 1.000 61.027 172.178 -81.166 -99.200 -91.000 HIS 111 0.900 58.100 171.383 -86.864 -99.200 -91.000 TYR 115 0.840 50.483 183.165 -90.520 -99.200 -91.000 PHE 152 1.000 63.407 205.942 -94.309 -99.200 -91.000 TRP 194 1.040 78.007 193.228 -96.649 -99.200 -91.000 TRP6 194 1.020 78.661 191.563 -98.213 -99.200 -91.000 PHE 206 1.000 65.845 212.024 -86.539 -99.200 -91.000 HIS 209 0.900 73.285 207.183 -79.384 -99.200 -91.000 PHE 223 1.000 81.194 200.185 -81.886 -99.200 -91.000 PHE 232 1.000 80.383 201.292 -90.376 -99.200 -91.000 PHE 234 1.000 79.743 205.291 -88.053 -99.200 -91.000 PHE 280 1.000 54.588 188.342 -88.625 -99.200 -91.000 PHE 305 1.000 57.587 187.261 -69.251 -99.200 -91.000 TYR 313 0.840 50.879 181.964 -69.589 -99.200 -91.000 HIS 326 0.900 71.112 188.112 -74.810 -99.200 -91.000 HIS 345 0.900 62.297 189.560 -60.777 -99.200 -91.000 TYR 348 0.840 62.606 192.683 -69.360 -99.200 -91.000 TYR 356 0.840 78.154 188.883 -80.595 -99.200 -91.000 HIS 358 0.900 88.647 192.423 -83.586 -99.200 -91.000 TRP 363 1.040 74.993 198.204 -73.005 -99.200 -91.000 TRP6 363 1.020 75.439 198.264 -75.343 -99.200 -91.000 TYR 378 0.840 77.898 208.350 -62.011 -99.200 -91.000 PHE 383 1.000 93.848 198.214 -66.789 -99.200 -91.000 PHE 385 1.000 89.988 195.374 -73.036 -99.200 -91.000 HIS 416 0.900 78.177 200.829 -69.520 -99.200 -91.000 TYR 435 0.840 75.581 185.404 -56.905 -99.200 -91.000 HIS 447 0.900 88.944 188.611 -62.218 -99.200 -91.000 HIS 449 0.900 99.356 188.202 -65.810 -99.200 -91.000 PHE 456 1.000 84.006 192.858 -64.974 -99.200 -91.000 PHE 465 1.000 93.571 201.811 -53.207 -99.200 -91.000 PHE 471 1.000 95.999 204.305 -67.817 -99.200 -91.000