============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 6 1.000 2.152 41.795 55.275 -99.200 -91.000 HIS 7 0.900 10.314 38.620 56.838 -99.200 -91.000 PHE 18 1.000 17.352 41.289 51.661 -99.200 -91.000 PHE 22 1.000 13.360 50.234 49.418 -99.200 -91.000 HIS 26 0.900 14.366 53.998 47.417 -99.200 -91.000 TYR 60 0.840 9.835 27.459 42.886 -99.200 -91.000 TYR 68 0.840 1.236 32.662 40.016 -99.200 -91.000 PHE 71 1.000 -5.945 37.944 46.785 -99.200 -91.000 TRP 74 1.040 5.270 39.421 38.778 -99.200 -91.000 TRP6 74 1.020 7.050 39.770 40.298 -99.200 -91.000 PHE 78 1.000 14.532 35.580 47.461 -99.200 -91.000 TYR 87 0.840 24.280 19.149 68.142 -99.200 -91.000 TYR 93 0.840 21.544 10.813 75.594 -99.200 -91.000 TRP 102 1.040 20.486 11.586 61.199 -99.200 -91.000 TRP6 102 1.020 18.152 11.925 60.968 -99.200 -91.000 TYR 103 0.840 18.786 6.569 61.341 -99.200 -91.000 PHE 113 1.000 11.828 14.667 67.128 -99.200 -91.000 PHE 115 1.000 7.617 18.043 63.541 -99.200 -91.000 TYR 125 0.840 6.127 22.732 52.864 -99.200 -91.000 TYR 137 0.840 21.722 8.340 52.184 -99.200 -91.000 TYR 138 0.840 20.440 7.529 56.929 -99.200 -91.000 PHE 144 1.000 7.009 10.685 59.230 -99.200 -91.000 PHE 156 1.000 5.693 11.654 54.607 -99.200 -91.000 TYR 163 0.840 7.606 6.218 51.214 -99.200 -91.000 HIS 191 0.900 11.458 30.504 74.421 -99.200 -91.000 TYR 200 0.840 19.791 16.567 69.510 -99.200 -91.000 PHE 201 1.000 16.342 24.818 66.040 -99.200 -91.000 PHE 202 1.000 14.549 16.897 62.203 -99.200 -91.000 TYR 204 0.840 14.559 26.741 56.038 -99.200 -91.000 HIS 211 0.900 18.966 33.127 65.715 -99.200 -91.000 PHE 213 1.000 20.339 27.138 68.127 -99.200 -91.000 PHE 215 1.000 25.390 23.126 60.879 -99.200 -91.000 TYR 229 0.840 22.380 14.495 45.239 -99.200 -91.000 TYR 233 0.840 16.583 16.802 47.359 -99.200 -91.000 TYR 253 0.840 14.397 30.793 51.463 -99.200 -91.000 PHE 270 1.000 12.541 44.968 50.360 -99.200 -91.000