============================================================================= 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. TYR 4 0.840 43.095 -3.458 43.019 -99.200 -91.000 PHE 7 1.000 41.970 5.815 33.329 -99.200 -91.000 HIS 14 0.900 35.190 22.578 19.966 -99.200 -91.000 HIS 38 0.900 43.770 22.617 44.278 -99.200 -91.000 TYR 47 0.840 45.645 24.024 27.841 -99.200 -91.000 PHE 62 1.000 24.883 9.741 53.804 -99.200 -91.000 PHE 73 1.000 28.768 15.379 31.309 -99.200 -91.000 TRP 79 1.040 26.851 21.054 23.475 -99.200 -91.000 TRP6 79 1.020 24.665 20.467 24.159 -99.200 -91.000 TYR 84 0.840 39.129 5.406 14.697 -99.200 -91.000 PHE 114 1.000 44.575 4.121 47.168 -99.200 -91.000 PHE 118 1.000 47.462 3.953 51.194 -99.200 -91.000 PHE 125 1.000 60.424 20.570 39.641 -99.200 -91.000 TYR 142 0.840 66.401 19.041 41.010 -99.200 -91.000 PHE 143 1.000 66.419 14.351 38.962 -99.200 -91.000 TYR 152 0.840 63.800 23.004 43.296 -99.200 -91.000 HIS 153 0.900 53.489 20.674 43.358 -99.200 -91.000 PHE 165 1.000 64.635 28.481 41.152 -99.200 -91.000 PHE 172 1.000 61.829 30.762 31.932 -99.200 -91.000 TYR 175 0.840 62.534 32.002 24.563 -99.200 -91.000 PHE 190 1.000 55.666 17.559 32.051 -99.200 -91.000 PHE 193 1.000 57.739 16.343 43.490 -99.200 -91.000 HIS 204 0.900 62.294 -9.496 39.799 -99.200 -91.000 TRP 207 1.040 56.505 -7.837 28.371 -99.200 -91.000 TRP6 207 1.020 55.592 -5.932 27.310 -99.200 -91.000 PHE 232 1.000 67.579 9.579 25.649 -99.200 -91.000 PHE 238 1.000 83.775 7.547 32.709 -99.200 -91.000 HIS 243 0.900 75.951 2.045 43.054 -99.200 -91.000 TRP 248 1.040 70.105 -1.084 57.402 -99.200 -91.000 TRP6 248 1.020 70.888 -1.170 59.633 -99.200 -91.000 TYR 254 0.840 69.358 -2.719 53.545 -99.200 -91.000 PHE 255 1.000 69.902 5.743 54.121 -99.200 -91.000 HIS 257 0.900 74.505 7.187 51.475 -99.200 -91.000 PHE 313 1.000 37.758 -3.434 54.616 -99.200 -91.000 PHE 320 1.000 52.016 2.555 52.903 -99.200 -91.000 TYR 323 0.840 55.978 -3.744 51.183 -99.200 -91.000 HIS 326 0.900 59.082 -7.645 54.301 -99.200 -91.000 PHE 330 1.000 64.502 -8.280 53.025 -99.200 -91.000