============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 19.944-135.578 42.231 -99.200 -91.000 TYR 5 0.840 15.457-135.562 33.838 -99.200 -91.000 PHE 20 1.000 -17.069-133.267 22.873 -99.200 -91.000 TYR 33 0.840 7.659-153.504 40.882 -99.200 -91.000 TYR 39 0.840 -8.286-137.086 44.122 -99.200 -91.000 PHE 44 1.000 -2.765-130.004 38.149 -99.200 -91.000 PHE 57 1.000 11.146-135.632 37.994 -99.200 -91.000 PHE 68 1.000 -0.433-122.582 29.932 -99.200 -91.000 TRP 74 1.040 3.445-112.202 35.174 -99.200 -91.000 TRP6 74 1.020 3.985-109.936 35.447 -99.200 -91.000 TYR 75 0.840 -2.119-113.337 26.178 -99.200 -91.000 HIS 76 0.900 -5.717-113.265 31.176 -99.200 -91.000 PHE 77 1.000 -0.809-109.047 36.130 -99.200 -91.000 HIS 79 0.900 0.292-109.039 25.807 -99.200 -91.000 HIS 95 0.900 8.685-119.902 21.766 -99.200 -91.000 TYR 98 0.840 14.156-125.823 21.511 -99.200 -91.000 PHE 102 1.000 20.852-127.559 24.495 -99.200 -91.000 PHE 103 1.000 18.113-130.816 34.600 -99.200 -91.000 TYR 105 0.840 10.066-127.886 32.242 -99.200 -91.000 TYR 106 0.840 12.092-138.859 31.330 -99.200 -91.000 HIS 108 0.900 2.919-136.989 25.300 -99.200 -91.000 TYR 123 0.840 -3.162-126.743 19.609 -99.200 -91.000 PHE 125 1.000 2.463-128.557 23.814 -99.200 -91.000 TYR 131 0.840 2.961-126.176 18.860 -99.200 -91.000 PHE 149 1.000 -11.161-149.025 22.572 -99.200 -91.000 PHE 156 1.000 -16.270-145.239 13.545 -99.200 -91.000 TYR 160 0.840 -11.427-150.924 4.812 -99.200 -91.000 TYR 173 0.840 -15.863-136.329 15.844 -99.200 -91.000 PHE 187 1.000 -7.607-143.159 31.522 -99.200 -91.000 HIS 194 0.900 1.384-149.631 32.722 -99.200 -91.000 PHE 215 1.000 -12.622-139.925 41.324 -99.200 -91.000 TYR 216 0.840 -17.237-141.398 35.551 -99.200 -91.000