============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 9 0.900 95.310-139.131 98.012 -99.200 -91.000 PHE 10 1.000 93.561-144.032 106.160 -99.200 -91.000 TRP 13 1.040 98.420-134.738 111.542 -99.200 -91.000 TRP6 13 1.020 99.225-134.710 113.765 -99.200 -91.000 TRP 29 1.040 85.614-136.148 131.451 -99.200 -91.000 TRP6 29 1.020 86.572-134.585 132.944 -99.200 -91.000 PHE 63 1.000 85.411-140.520 132.224 -99.200 -91.000 HIS 69 0.900 84.152-151.420 120.701 -99.200 -91.000 TYR 70 0.840 82.982-142.692 114.479 -99.200 -91.000 PHE 76 1.000 77.658-142.202 105.710 -99.200 -91.000 PHE 86 1.000 99.477-144.275 107.403 -99.200 -91.000 HIS 102 0.900 91.021-152.857 116.273 -99.200 -91.000 PHE 130 1.000 108.229-135.506 113.315 -99.200 -91.000 HIS 161 0.900 90.758-143.421 173.358 -99.200 -91.000 PHE 168 1.000 91.249-138.334 175.385 -99.200 -91.000 TYR 169 0.840 93.111-140.921 169.440 -99.200 -91.000 HIS 182 0.900 103.274-142.354 146.649 -99.200 -91.000 TRP 190 1.040 111.134-142.743 132.020 -99.200 -91.000 TRP6 190 1.020 109.468-142.254 130.415 -99.200 -91.000 PHE 205 1.000 113.948-132.776 112.954 -99.200 -91.000 PHE 212 1.000 113.697-136.769 125.424 -99.200 -91.000 HIS 214 0.900 112.154-127.308 133.332 -99.200 -91.000 HIS 225 0.900 100.525-138.085 133.665 -99.200 -91.000 PHE 227 1.000 96.882-139.644 137.170 -99.200 -91.000 PHE 233 1.000 89.422-133.321 137.952 -99.200 -91.000 PHE 234 1.000 95.557-138.946 141.643 -99.200 -91.000 TYR 235 0.840 96.374-130.725 138.337 -99.200 -91.000 PHE 242 1.000 108.814-136.782 129.393 -99.200 -91.000 TRP 246 1.040 118.783-139.515 125.940 -99.200 -91.000 TRP6 246 1.020 118.980-141.861 126.152 -99.200 -91.000 TRP 274 1.040 88.909-132.102 129.924 -99.200 -91.000 TRP6 274 1.020 87.802-133.102 128.088 -99.200 -91.000 TYR 282 0.840 85.430-131.308 139.404 -99.200 -91.000 PHE 315 1.000 112.866-133.567 120.156 -99.200 -91.000 TRP 326 1.040 89.939-137.752 122.124 -99.200 -91.000 TRP6 326 1.020 90.168-138.812 124.227 -99.200 -91.000 TYR 331 0.840 97.821-145.072 113.859 -99.200 -91.000 TYR 333 0.840 90.467-147.507 113.226 -99.200 -91.000