============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 18.614 17.572 46.390 -99.200 -91.000 TRP 7 1.040 18.362 14.321 42.214 -99.200 -91.000 TRP6 7 1.020 18.140 13.013 44.153 -99.200 -91.000 HIS 16 0.900 30.521 7.619 31.539 -99.200 -91.000 TYR 21 0.840 26.409 16.582 34.417 -99.200 -91.000 TYR 22 0.840 31.416 8.436 36.009 -99.200 -91.000 HIS 30 0.900 33.101 -14.432 42.518 -99.200 -91.000 HIS 41 0.900 35.801 -5.294 40.097 -99.200 -91.000 TYR 43 0.840 27.593 -6.142 42.105 -99.200 -91.000 TYR 47 0.840 23.739 6.758 43.434 -99.200 -91.000 PHE 48 1.000 24.127 8.584 32.455 -99.200 -91.000 HIS 57 0.900 27.043 13.000 23.021 -99.200 -91.000 HIS 59 0.900 27.129 4.352 25.768 -99.200 -91.000 TRP 67 1.040 20.580 1.859 31.403 -99.200 -91.000 TRP6 67 1.020 21.246 4.103 31.146 -99.200 -91.000 TYR 69 0.840 11.916 7.443 37.565 -99.200 -91.000 HIS 70 0.900 17.436 4.984 41.822 -99.200 -91.000 HIS 78 0.900 17.293 8.130 21.811 -99.200 -91.000 TYR 93 0.840 25.321 -3.484 16.012 -99.200 -91.000 TYR 96 0.840 15.876 3.750 17.441 -99.200 -91.000 TYR 113 0.840 15.389 -1.883 27.916 -99.200 -91.000 PHE 121 1.000 24.131 1.289 25.928 -99.200 -91.000 TYR 136 0.840 16.322 15.609 37.987 -99.200 -91.000 PHE 147 1.000 32.434 1.218 32.046 -99.200 -91.000 TYR 149 0.840 35.801 4.518 31.599 -99.200 -91.000 PHE 152 1.000 32.879 4.685 27.081 -99.200 -91.000 PHE 155 1.000 30.090 2.705 18.430 -99.200 -91.000 TYR 164 0.840 26.116 -0.460 12.123 -99.200 -91.000 HIS 167 0.900 19.355 1.583 12.665 -99.200 -91.000 TYR 176 0.840 30.592 12.727 22.218 -99.200 -91.000