============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 31 0.840 67.625 5.865-124.789 -99.200 -91.000 TYR 32 0.840 63.034 1.276-130.226 -99.200 -91.000 TRP 33 1.040 60.833 7.402-125.653 -99.200 -91.000 TRP6 33 1.020 61.927 7.812-123.601 -99.200 -91.000 TRP 35 1.040 52.051 7.819-124.266 -99.200 -91.000 TRP6 35 1.020 51.918 9.557-122.663 -99.200 -91.000 TRP 46 1.040 51.643 -1.523-124.900 -99.200 -91.000 TRP6 46 1.020 51.031 -2.331-127.042 -99.200 -91.000 TYR 51 0.840 58.200 1.177-131.812 -99.200 -91.000 TYR 58 0.840 49.390 3.412-132.504 -99.200 -91.000 PHE 77 1.000 57.226 9.424-124.425 -99.200 -91.000 TYR 91 0.840 45.020 7.874-120.204 -99.200 -91.000 TYR 92 0.840 50.704 5.268-114.031 -99.200 -91.000 TYR 96 0.840 58.910 -1.997-126.416 -99.200 -91.000 HIS 97 0.900 66.322 -1.603-121.432 -99.200 -91.000 HIS 99 0.900 70.698 -6.880-126.161 -99.200 -91.000 PHE 100 1.000 72.227 -5.504-130.757 -99.200 -91.000 PHE 107 1.000 55.925 -1.456-121.322 -99.200 -91.000 TYR 109 0.840 65.178 4.930-116.879 -99.200 -91.000 TRP 110 1.040 56.881 2.010-115.509 -99.200 -91.000 TRP6 110 1.020 54.644 1.441-116.016 -99.200 -91.000 PHE 129 1.000 27.764 22.266 -96.162 -99.200 -91.000 TYR 152 0.840 35.785 17.835-104.498 -99.200 -91.000 PHE 153 1.000 34.500 17.714-112.944 -99.200 -91.000 TRP 161 1.040 42.063 18.087 -90.216 -99.200 -91.000 TRP6 161 1.020 39.961 18.863 -89.478 -99.200 -91.000 HIS 171 0.900 42.092 7.506 -90.358 -99.200 -91.000 PHE 173 1.000 37.190 8.252 -94.051 -99.200 -91.000 TYR 183 0.840 35.121 13.688-108.637 -99.200 -91.000 TYR 201 0.840 41.141 20.305 -82.386 -99.200 -91.000 HIS 207 0.900 38.293 22.037-106.791 -99.200 -91.000