============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 4 0.840 -106.887 73.497 9.815 -99.200 -91.000 TYR 7 0.840 -105.510 67.877 22.292 -99.200 -91.000 TRP 12 1.040 -104.540 72.365 19.976 -99.200 -91.000 TRP6 12 1.020 -105.739 70.995 18.472 -99.200 -91.000 TYR 22 0.840 -103.721 72.280 -2.935 -99.200 -91.000 TYR 43 0.840 -94.236 63.942 23.220 -99.200 -91.000 TYR 45 0.840 -98.370 55.102 18.250 -99.200 -91.000 TRP 55 1.040 -109.366 57.276 29.372 -99.200 -91.000 TRP6 55 1.020 -110.721 59.188 29.604 -99.200 -91.000 TYR 60 0.840 -116.770 51.062 33.083 -99.200 -91.000 TYR 66 0.840 -113.049 64.147 31.190 -99.200 -91.000 HIS 68 0.900 -123.244 61.537 27.514 -99.200 -91.000 TYR 93 0.840 -123.501 73.596 4.984 -99.200 -91.000 TYR 109 0.840 -126.924 53.587 21.419 -99.200 -91.000 PHE 127 1.000 -115.982 21.188 32.366 -99.200 -91.000 PHE 152 1.000 -113.058 59.042 -0.199 -99.200 -91.000 TYR 154 0.840 -119.966 58.233 5.747 -99.200 -91.000 PHE 175 1.000 -109.218 60.728 13.837 -99.200 -91.000 PHE 192 1.000 -112.802 63.197 20.981 -99.200 -91.000 PHE 202 1.000 -108.742 62.744 20.078 -99.200 -91.000 TYR 215 0.840 -92.363 54.269 13.317 -99.200 -91.000 HIS 219 0.900 -94.412 52.598 18.286 -99.200 -91.000 PHE 224 1.000 -109.172 46.574 18.330 -99.200 -91.000 PHE 227 1.000 -107.794 50.590 7.003 -99.200 -91.000 PHE 276 1.000 -126.764 56.082 -9.510 -99.200 -91.000 TYR 278 0.840 -119.155 61.280 -0.402 -99.200 -91.000 TYR 332 0.840 -110.953 51.301 -10.126 -99.200 -91.000 PHE 363 1.000 -122.145 51.061 -18.603 -99.200 -91.000 TRP 374 1.040 -117.278 39.753 -11.498 -99.200 -91.000 TRP6 374 1.020 -118.636 38.314 -10.164 -99.200 -91.000 PHE 378 1.000 -115.762 54.067 -2.006 -99.200 -91.000 TYR 402 0.840 -114.873 43.912 -2.741 -99.200 -91.000 PHE 409 1.000 -134.906 46.205 -2.702 -99.200 -91.000 PHE 413 1.000 -140.462 40.828 5.113 -99.200 -91.000 PHE 417 1.000 -135.666 36.445 8.836 -99.200 -91.000 HIS 429 0.900 -129.903 46.840 5.661 -99.200 -91.000 PHE 441 1.000 -130.659 48.057 13.734 -99.200 -91.000 PHE 443 1.000 -120.574 48.558 8.474 -99.200 -91.000 TYR 458 0.840 -123.049 44.023 17.948 -99.200 -91.000 PHE 471 1.000 -113.876 34.385 45.391 -99.200 -91.000