============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 3 0.840 -131.458 168.282 106.318 -99.200 -91.000 TYR 12 0.840 -139.500 138.211 117.282 -99.200 -91.000 HIS 21 0.900 -134.327 115.751 106.619 -99.200 -91.000 TRP 33 1.040 -135.280 120.579 92.271 -99.200 -91.000 TRP6 33 1.020 -133.699 121.302 90.652 -99.200 -91.000 HIS 35 0.900 -128.689 125.139 99.523 -99.200 -91.000 HIS 56 0.900 -145.315 144.141 121.292 -99.200 -91.000 PHE 75 1.000 -142.730 159.259 111.602 -99.200 -91.000 PHE 85 1.000 -158.091 141.588 113.454 -99.200 -91.000 PHE 104 1.000 -148.810 160.395 112.040 -99.200 -91.000 PHE 106 1.000 -149.435 156.076 107.219 -99.200 -91.000 PHE 114 1.000 -137.370 149.317 105.988 -99.200 -91.000 TYR 116 0.840 -143.328 152.549 96.762 -99.200 -91.000 TYR 130 0.840 -146.148 164.642 112.034 -99.200 -91.000 PHE 141 1.000 -146.602 137.190 101.059 -99.200 -91.000 TRP 147 1.040 -147.412 126.384 103.742 -99.200 -91.000 TRP6 147 1.020 -145.107 126.848 103.981 -99.200 -91.000 PHE 156 1.000 -142.734 134.025 98.913 -99.200 -91.000 HIS 172 0.900 -127.522 160.855 108.285 -99.200 -91.000 PHE 173 1.000 -133.590 158.551 104.871 -99.200 -91.000 TRP 185 1.040 -153.538 144.444 87.863 -99.200 -91.000 TRP6 185 1.020 -154.743 142.582 88.691 -99.200 -91.000 TYR 192 0.840 -160.596 138.380 94.368 -99.200 -91.000 PHE 199 1.000 -177.608 143.854 98.200 -99.200 -91.000 TYR 200 0.840 -169.183 140.117 92.824 -99.200 -91.000 HIS 203 0.900 -170.928 134.192 87.700 -99.200 -91.000 PHE 218 1.000 -134.073 136.122 86.999 -99.200 -91.000 PHE 220 1.000 -140.464 144.642 88.037 -99.200 -91.000 TYR 240 0.840 -120.568 147.677 101.881 -99.200 -91.000 HIS 244 0.900 -137.838 141.277 97.918 -99.200 -91.000 PHE 265 1.000 -125.337 144.940 93.360 -99.200 -91.000 TYR 272 0.840 -132.596 135.983 108.588 -99.200 -91.000 PHE 306 1.000 -136.029 143.554 93.551 -99.200 -91.000 TRP 312 1.040 -138.984 149.975 89.483 -99.200 -91.000 TRP6 312 1.020 -140.854 149.746 88.045 -99.200 -91.000