============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 9 0.900 140.126 -11.625 86.447 -99.200 -91.000 TYR 20 0.840 131.666 6.930 102.661 -99.200 -91.000 TYR 28 0.840 126.769 4.388 98.455 -99.200 -91.000 HIS 29 0.900 124.811 -1.541 104.467 -99.200 -91.000 TYR 31 0.840 132.076 0.743 98.636 -99.200 -91.000 TRP 47 1.040 147.108 -7.528 86.716 -99.200 -91.000 TRP6 47 1.020 145.396 -9.146 86.968 -99.200 -91.000 PHE 53 1.000 130.988 5.428 97.418 -99.200 -91.000 TYR 57 0.840 130.296 9.397 92.925 -99.200 -91.000 HIS 61 0.900 124.182 -1.169 86.497 -99.200 -91.000 HIS 84 0.900 148.502 8.111 74.841 -99.200 -91.000 TRP 88 1.040 139.295 8.574 74.728 -99.200 -91.000 TRP6 88 1.020 138.779 7.887 76.946 -99.200 -91.000 HIS 98 0.900 127.743 2.929 78.399 -99.200 -91.000 TRP 110 1.040 147.621 5.004 79.761 -99.200 -91.000 TRP6 110 1.020 149.356 6.578 79.437 -99.200 -91.000 HIS 154 0.900 140.113 8.200 108.312 -99.200 -91.000 PHE 159 1.000 144.606 8.486 105.610 -99.200 -91.000 HIS 162 0.900 141.270 14.446 107.917 -99.200 -91.000 TRP 194 1.040 142.663 21.423 100.836 -99.200 -91.000 TRP6 194 1.020 141.471 19.835 99.525 -99.200 -91.000 TYR 195 0.840 140.072 19.701 108.108 -99.200 -91.000 HIS 207 0.900 120.959 21.701 103.441 -99.200 -91.000 TRP 230 1.040 127.282 23.820 84.144 -99.200 -91.000 TRP6 230 1.020 129.050 22.274 84.169 -99.200 -91.000 PHE 307 1.000 147.343 3.959 97.319 -99.200 -91.000 HIS 312 0.900 152.959 4.230 89.651 -99.200 -91.000 HIS 320 0.900 150.773 26.625 92.596 -99.200 -91.000 PHE 372 1.000 135.094 -10.228 75.760 -99.200 -91.000