============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 5 1.000 95.572 126.509 39.186 -99.200 -91.000 PHE 21 1.000 84.499 126.991 35.013 -99.200 -91.000 TYR 27 0.840 93.589 126.926 25.423 -99.200 -91.000 HIS 36 0.900 103.443 129.501 35.805 -99.200 -91.000 TYR 51 0.840 74.827 109.128 43.718 -99.200 -91.000 PHE 58 1.000 68.378 103.986 51.719 -99.200 -91.000 PHE 64 1.000 78.741 103.573 53.161 -99.200 -91.000 PHE 67 1.000 85.332 105.813 53.751 -99.200 -91.000 TYR 88 0.840 99.699 109.896 37.259 -99.200 -91.000 PHE 95 1.000 98.210 114.847 50.291 -99.200 -91.000 TRP 96 1.040 103.120 109.457 49.893 -99.200 -91.000 TRP6 96 1.020 104.902 110.243 51.229 -99.200 -91.000 TRP 99 1.040 107.660 114.262 44.414 -99.200 -91.000 TRP6 99 1.020 108.843 112.390 43.584 -99.200 -91.000 HIS 113 0.900 92.529 108.454 53.857 -99.200 -91.000 HIS 116 0.900 89.912 115.650 54.691 -99.200 -91.000 PHE 128 1.000 104.084 115.048 49.739 -99.200 -91.000 TYR 144 0.840 81.354 138.875 49.357 -99.200 -91.000 PHE 208 1.000 99.424 131.900 31.361 -99.200 -91.000 HIS 215 0.900 92.999 137.826 42.818 -99.200 -91.000