============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 3 0.840 58.861 36.872 30.929 -99.200 -91.000 PHE 4 1.000 57.883 41.891 24.584 -99.200 -91.000 PHE 19 1.000 52.565 58.071 12.304 -99.200 -91.000 TYR 24 0.840 61.515 47.862 13.935 -99.200 -91.000 PHE 28 1.000 56.920 45.479 18.911 -99.200 -91.000 PHE 40 1.000 46.817 63.996 18.936 -99.200 -91.000 HIS 53 0.900 40.633 77.347 16.132 -99.200 -91.000 TYR 54 0.840 46.856 73.229 20.985 -99.200 -91.000 PHE 85 1.000 41.760 62.041 19.498 -99.200 -91.000 TYR 101 0.840 46.995 49.902 26.446 -99.200 -91.000 PHE 103 1.000 55.334 46.021 24.573 -99.200 -91.000 PHE 113 1.000 70.970 73.515 24.188 -99.200 -91.000 HIS 127 0.900 62.503 60.149 36.510 -99.200 -91.000 TYR 134 0.840 61.653 47.083 22.172 -99.200 -91.000 PHE 136 1.000 60.545 49.662 18.466 -99.200 -91.000 HIS 138 0.900 67.243 56.084 12.808 -99.200 -91.000 PHE 145 1.000 61.802 40.988 19.818 -99.200 -91.000 TYR 152 0.840 72.325 40.254 34.679 -99.200 -91.000 PHE 154 1.000 75.699 39.692 38.179 -99.200 -91.000 TRP 157 1.040 64.686 48.270 38.486 -99.200 -91.000 TRP6 157 1.020 66.165 48.685 40.286 -99.200 -91.000 TYR 164 0.840 59.540 41.722 29.620 -99.200 -91.000 PHE 167 1.000 58.060 35.448 25.631 -99.200 -91.000 HIS 177 0.900 75.874 37.952 21.371 -99.200 -91.000 HIS 180 0.900 78.795 43.785 35.330 -99.200 -91.000 HIS 205 0.900 77.881 33.328 21.871 -99.200 -91.000 HIS 207 0.900 80.024 39.381 24.224 -99.200 -91.000 HIS 214 0.900 78.064 56.879 27.240 -99.200 -91.000 PHE 230 1.000 64.946 42.902 25.045 -99.200 -91.000 PHE 257 1.000 61.544 45.366 26.928 -99.200 -91.000