============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 13 1.000 -46.334-159.506 63.614 -99.200 -91.000 PHE 48 1.000 -27.827-162.764 69.480 -99.200 -91.000 PHE 50 1.000 -30.560-166.127 74.247 -99.200 -91.000 TYR 52 0.840 -35.470-173.617 79.536 -99.200 -91.000 TYR 54 0.840 -39.619-170.741 77.311 -99.200 -91.000 TRP 55 1.040 -43.040-169.803 67.289 -99.200 -91.000 TRP6 55 1.020 -42.129-167.936 66.157 -99.200 -91.000 HIS 57 0.900 -45.162-163.744 65.818 -99.200 -91.000 TYR 65 0.840 -48.747-169.407 72.790 -99.200 -91.000 TYR 72 0.840 -44.456-172.357 88.063 -99.200 -91.000 HIS 82 0.900 -32.356-174.958 92.397 -99.200 -91.000 PHE 84 1.000 -41.025-176.235 99.092 -99.200 -91.000 TYR 87 0.840 -29.174-174.353 97.151 -99.200 -91.000 PHE 92 1.000 -32.729-160.379 85.607 -99.200 -91.000 TYR 94 0.840 -33.053-156.060 79.847 -99.200 -91.000 TYR 103 0.840 -49.364-163.243 78.510 -99.200 -91.000 PHE 125 1.000 -49.352-169.883 100.563 -99.200 -91.000 TYR 138 0.840 -43.250-176.318 105.247 -99.200 -91.000 TYR 144 0.840 -46.124-156.458 93.900 -99.200 -91.000 TYR 148 0.840 -42.063-143.042 88.180 -99.200 -91.000 HIS 169 0.900 -27.952-154.947 109.681 -99.200 -91.000 TYR 175 0.840 -32.351-152.130 106.234 -99.200 -91.000 TYR 187 0.840 -52.929-168.515 94.429 -99.200 -91.000 HIS 216 0.900 -36.813-150.694 87.089 -99.200 -91.000 PHE 219 1.000 -45.219-161.402 95.112 -99.200 -91.000 PHE 223 1.000 -41.051-172.293 101.991 -99.200 -91.000 HIS 228 0.900 -40.312-180.952 117.558 -99.200 -91.000 PHE 273 1.000 -16.363-149.890 90.385 -99.200 -91.000 TYR 276 0.840 -23.047-155.915 92.599 -99.200 -91.000 TRP 283 1.040 -27.414-150.809 98.010 -99.200 -91.000 TRP6 283 1.020 -27.828-148.684 98.968 -99.200 -91.000 TYR 308 0.840 -31.887-155.453 63.558 -99.200 -91.000 TYR 317 0.840 -27.237-154.712 77.778 -99.200 -91.000