G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.996 CA :: 57.895 CB :: 63.477 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.489 HB2 :: 3.840 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.794 CA :: 58.329 CB :: 63.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.451 HA :: 4.507 HB2 :: 3.913 HB3 :: 3.913 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.028 Ave N Shift Values>> N :: 116.3(3.95) G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 HN Overlap>> G7 C Shift Assignments>> C :: 174.041 CA :: 45.473 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.519 HA2 :: 4.055 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.916 Ave N Shift Values>> N :: 109.91(4.29) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.813 CA :: 58.318 CB :: 63.904 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.335 HA :: 4.518 HB2 :: 3.899 HB3 :: 3.899 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.851 Ave N Shift Values>> N :: 116.3(3.95) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> M41 C Shift Assignments>> C :: 175.464 CA :: 59.478 CB :: 63.610 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.590 HA :: 4.458 HB2 :: 4.007 HB3 :: 3.962 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.262 Ave N Shift Values>> N :: 116.3(3.95) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 HN Overlap>> G4 C Shift Assignments>> C :: 174.885 CA :: 46.284 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.577 HA2 :: 4.014 HA3 :: 3.931 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.946 Ave N Shift Values>> N :: 109.91(4.29) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.12 M 0.05 R 0.05 C Shift Assignments>> C :: 176.659 CA :: 57.092 CB :: 29.180 CG :: 33.745 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.253 HA :: 4.282 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.421 HG3 :: 2.421 HE21 :: 7.782 HE22 :: 6.878 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.246 NE2 :: 113.689 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 HN Overlap>> M13 C Shift Assignments>> C :: 178.166 CA :: 58.044 CB :: 30.447 CG :: 27.475 CD :: 43.394 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.440 HA :: 4.400 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 1.851 HG3 :: 1.785 HD2 :: 3.300 HD3 :: 3.300 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.296 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.12 K 0.04 C Shift Assignments>> C :: 176.767 CA :: 59.294 CB :: 30.111 CG :: 26.987 CD :: 43.645 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.509 HA :: 4.180 HB2 :: 1.925 HB3 :: 1.925 HG2 :: 1.652 HG3 :: 1.577 HD2 :: 3.201 HD3 :: 3.133 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.963 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.33 C 0.28 C Shift Assignments>> C :: 177.111 CA :: 58.881 CB :: 29.405 CD2 :: 120.378 CE1 :: 137.660 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.173 HA :: 4.412 HB2 :: 3.347 HB3 :: 3.347 HD2 :: 7.279 HE1 :: 8.262 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.414 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.17 C 0.15 D 0.14 L 0.13 K 0.11 N 0.03 I 0.03 R 0.01 C Shift Assignments>> C :: 178.517 CA :: 56.600 CB :: 40.553 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.538 HA :: 4.573 HB2 :: 2.888 HB3 :: 2.828 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.837 Ave N Shift Values>> N :: 120.73(4.2) M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.46 A 0.05 HN Overlap>> R9 C Shift Assignments>> C :: 177.503 CA :: 57.547 CB :: 33.069 CG :: 32.737 CE :: 18.908 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.420 HA :: 4.699 HB2 :: 2.735 HB3 :: 2.835 HG2 :: 2.491 HG3 :: 2.112 HE :: 1.981 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.247 Ave N Shift Values>> N :: 120.1(3.88) L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.04 C Shift Assignments>> C :: 177.455 CA :: 57.630 CB :: 41.777 CG :: 26.500 CD1 :: 25.297 CD2 :: 23.523 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.912 HA :: 4.029 HB2 :: 1.763 HB3 :: 1.457 HG :: 1.660 HD1 :: 0.701 HD2 :: 0.624 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.553 Ave N Shift Values>> N :: 121.98(4.07) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.32 I 0.04 C 0.03 HN Overlap>> R77 C Shift Assignments>> C :: 179.361 CA :: 55.328 CB :: 17.943 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.270 HA :: 4.165 HB :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.133 Ave N Shift Values>> N :: 123.23(3.7) W16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.35 C Shift Assignments>> C :: 178.649 CA :: 61.034 CB :: 27.320 CD1 :: 127.169 CE3 :: 120.648 CZ2 :: 115.013 CZ3 :: 120.834 CH2 :: 123.388 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.771 HA :: 4.544 HB2 :: 3.423 HB3 :: 3.666 HD1 :: 7.406 HE1 :: 10.016 HE3 :: 7.685 HZ2 :: 6.678 HZ3 :: 6.791 HH2 :: 6.493 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.411 NE1 :: 130.814 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 176.389 CA :: 63.896 CB :: 37.499 CG1 :: 28.319 CG2 :: 17.370 CD1 :: 12.594 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.922 HA :: 3.044 HB :: 1.879 HG2 :: 0.727 HG12 :: 1.204 HG13 :: 1.555 HD1 :: 0.660 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.560 Ave N Shift Values>> N :: 121.6(4.72) N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.18 E 0.16 N 0.11 F 0.11 M 0.04 D 0.04 I 0.03 K 0.01 L 0.01 HN Overlap>> E19 K105 C Shift Assignments>> C :: 179.168 CA :: 55.941 CB :: 37.456 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.635 HA :: 4.202 HB2 :: 2.812 HB3 :: 2.812 HD21 :: 7.056 HD22 :: 7.471 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.574 ND2 :: 106.165 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.14 K 0.08 M 0.03 Q 0.03 HN Overlap>> N18 K105 C Shift Assignments>> C :: 178.746 CA :: 58.505 CB :: 29.532 CG :: 36.362 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.584 HA :: 4.130 HB2 :: 2.188 HB3 :: 2.069 HG2 :: 2.359 HG3 :: 2.432 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.610 Ave N Shift Values>> N :: 120.68(3.68) S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.999 CA :: 62.154 CB :: 63.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.706 HA :: 4.131 HB2 :: 3.493 HB3 :: 3.357 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.797 Ave N Shift Values>> N :: 116.3(3.95) L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.23 A 0.2 R 0.1 G 0.04 HN Overlap>> C38 C Shift Assignments>> C :: 175.041 CA :: 53.695 CB :: 42.599 CG :: 26.322 CD1 :: 26.888 CD2 :: 21.866 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.459 HA :: 4.256 HB2 :: 1.398 HB3 :: 1.325 HG :: 0.962 HD1 :: 0.426 HD2 :: 0.244 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.746 Ave N Shift Values>> N :: 121.98(4.07) Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 Q 0.12 R 0.05 M 0.03 E 0.02 I 0.02 C Shift Assignments>> C :: 175.030 CA :: 56.847 CB :: 25.611 CG :: 34.433 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.571 HA :: 4.011 HB2 :: 2.238 HB3 :: 2.106 HG2 :: 2.224 HG3 :: 2.224 HE21 :: 7.448 HE22 :: 6.698 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.713 NE2 :: 113.053 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.14 L 0.12 A 0.11 C Shift Assignments>> C :: 175.066 CA :: 52.874 CB :: 45.577 CG :: 26.196 CD1 :: 22.456 CD2 :: 25.896 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.694 HA :: 4.598 HB2 :: 1.786 HB3 :: 1.493 HG :: 1.386 HD1 :: 0.803 HD2 :: 0.676 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.858 Ave N Shift Values>> N :: 121.98(4.07) N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.2 C 0.14 Y 0.04 F 0.04 L 0.03 HN Overlap>> L44 C Shift Assignments>> C :: 175.005 CA :: 51.949 CB :: 39.051 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.092 HA :: 4.747 HB2 :: 2.731 HB3 :: 2.434 HD21 :: 7.442 HD22 :: 6.700 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.553 ND2 :: 112.004 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.34 R 0.15 A 0.01 C Shift Assignments>> C :: 178.577 CA :: 56.745 CB :: 41.766 CG :: 27.498 CD1 :: 26.102 CD2 :: 22.467 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.190 HA :: 4.276 HB2 :: 1.789 HB3 :: 1.480 HG :: 1.804 HD1 :: 0.736 HD2 :: 0.803 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.519 Ave N Shift Values>> N :: 121.98(4.07) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.511 CA :: 61.589 CB :: 70.677 CG2 :: 22.174 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.346 HA :: 4.449 HB :: 4.381 HG2 :: 1.223 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.682 Ave N Shift Values>> N :: 115.7(5.05) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.32 R 0.21 M 0.01 G 0.01 C Shift Assignments>> C :: 176.055 CA :: 55.336 CB :: 35.940 CG :: 24.812 CD :: 29.433 CE :: 42.131 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.053 HA :: 4.903 HB2 :: 1.689 HB3 :: 2.359 HG2 :: 1.475 HG3 :: 1.475 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.969 HE3 :: 2.969 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.502 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 177.330 CA :: 61.752 CB :: 36.248 CG1 :: 28.608 CG2 :: 17.419 CD1 :: 10.325 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.441 HA :: 3.785 HB :: 2.297 HG2 :: 0.741 HG12 :: 1.831 HG13 :: 1.698 HD1 :: 1.031 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.464 Ave N Shift Values>> N :: 121.6(4.72) E29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.68 C 0.26 E 0.04 C Shift Assignments>> C :: 178.746 CA :: 61.764 CB :: 29.176 CG :: 38.677 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 11.301(S) HA :: 3.555 HB2 :: 1.871 HB3 :: 2.088 HG2 :: 2.827 HG3 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.149 Ave N Shift Values>> N :: 120.68(3.68) Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.11 I 0.1 Q 0.06 M 0.03 C Shift Assignments>> C :: 177.744 CA :: 58.354 CB :: 29.433 CG :: 35.925 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.713 HA :: 4.137 HB2 :: 2.178 HB3 :: 2.610 HG2 :: 2.603 HG3 :: 2.375 HE21 :: 7.680 HE22 :: 6.968 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.065 NE2 :: 111.053 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.04 A 0.01 HN Overlap>> D109 C Shift Assignments>> C :: 176.960 CA :: 56.132 CB :: 41.061 CG :: 27.312 CD1 :: 25.459 CD2 :: 23.013 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.155 HA :: 4.129 HB2 :: 2.109 HB3 :: 1.665 HG :: 1.611 HD1 :: 1.112 HD2 :: 0.478 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.960 Ave N Shift Values>> N :: 121.98(4.07) C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 W 0.14 C 0.13 K 0.11 E 0.11 Q 0.1 R 0.09 H 0.08 L 0.01 V 0.01 M 0.01 C Shift Assignments>> C :: 171.820 CA :: 59.358 CB :: 28.636 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.553 HA :: 4.402 HB2 :: 3.643 HB3 :: 2.744 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.321 Ave N Shift Values>> N :: 119.95(4.79) S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.116 CA :: 56.359 CB :: 65.670 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.548 HA :: 3.730 HB2 :: 3.900 HB3 :: 3.432 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.835 Ave N Shift Values>> N :: 116.3(3.95) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 172.954 CA :: 46.468 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.510 HA2 :: 2.878 HA3 :: 2.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.908 Ave N Shift Values>> N :: 109.91(4.29) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.28 C 0.05 I 0.04 V 0.02 L 0.01 T 0.01 C Shift Assignments>> C :: 177.998 CA :: 55.861 CB :: 19.129 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.909 HA :: 3.407 HB :: 1.164 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.465 Ave N Shift Values>> N :: 123.23(3.7) A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.23 I 0.03 C 0.02 C Shift Assignments>> C :: 179.385 CA :: 54.860 CB :: 16.348 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.884 HA :: 3.944 HB :: 0.884 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.546 Ave N Shift Values>> N :: 123.23(3.7) Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 178.130 CA :: 60.804 CB :: 39.238 CD1 :: 131.745 CD2 :: 131.745 CE1 :: 117.568 CE2 :: 117.568 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.374 HA :: 4.095 HB2 :: 2.618 HB3 :: 3.099 HD1 :: 6.305 HD2 :: 6.305 HE1 :: 6.711 HE2 :: 6.711 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 114.211 Ave N Shift Values>> N :: 120.79(4.69) C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.42 C 0.04 V 0.01 W 0.01 HN Overlap>> L21 C Shift Assignments>> C :: 175.813 CA :: 64.966 CB :: 27.631 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.449 HA :: 4.002 HB2 :: 3.169 HB3 :: 2.282 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 115.843 Ave N Shift Values>> N :: 119.95(4.79) Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.22 K 0.15 Q 0.15 I 0.09 M 0.03 R 0.01 C Shift Assignments>> C :: 178.722 CA :: 59.867 CB :: 29.370 CG :: 34.747 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.157 HA :: 3.952 HB2 :: 2.301 HB3 :: 2.122 HG2 :: 2.451 HG3 :: 2.267 HE21 :: 7.224 HE22 :: 6.366 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.310 NE2 :: 109.475 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 178.142 CA :: 61.165 CB :: 39.961 CD1 :: 130.787 CD2 :: 130.787 CE1 :: 130.827 CE2 :: 130.827 CZ :: 130.202 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.740 HA :: 4.365 HB2 :: 3.290 HB3 :: 3.516 HD1 :: 7.009 HD2 :: 7.009 HE1 :: 6.667 HE2 :: 6.667 HZ :: 6.492 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.444 Ave N Shift Values>> N :: 120.69(4.18) M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.36 A 0.02 I 0.02 HN Overlap>> S6 C Shift Assignments>> C :: 177.081 CA :: 58.338 CB :: 31.766 CG :: 33.814 CE :: 18.411 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.645 HA :: 4.597 HB2 :: 2.344 HB3 :: 2.496 HG2 :: 3.012 HG3 :: 2.955 HE :: 2.097 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.180 Ave N Shift Values>> N :: 120.1(3.88) D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.23 C 0.14 G 0.1 F 0.06 K 0.05 Y 0.04 D 0.03 C Shift Assignments>> C :: 175.633 CA :: 57.079 CB :: 43.753 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.772 HA :: 4.571 HB2 :: 2.577 HB3 :: 2.667 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.360 Ave N Shift Values>> N :: 120.73(4.2) M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.46 I 0.02 C Shift Assignments>> C :: 177.817 CA :: 58.502 CB :: 33.535 CG :: 31.496 CE :: 16.767 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.590 HA :: 4.066 HB2 :: 2.253 HB3 :: 2.374 HG2 :: 2.667 HG3 :: 2.440 HE :: 1.889 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.940 Ave N Shift Values>> N :: 120.1(3.88) L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.27 G 0.16 R 0.05 HN Overlap>> N24 C Shift Assignments>> C :: 176.743 CA :: 56.876 CB :: 43.936 CG :: 26.727 CD1 :: 25.000 CD2 :: 23.556 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.032 HA :: 3.884 HB2 :: 1.554 HB3 :: 0.832 HG :: 1.425 HD1 :: 0.642 HD2 :: 0.612 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.588 Ave N Shift Values>> N :: 121.98(4.07) F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Y 0.38 F 0.19 C Shift Assignments>> C :: 171.627 CA :: 54.092 CB :: 39.189 CD1 :: 133.466 CD2 :: 133.466 CE1 :: 130.881 CE2 :: 130.881 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.478 HA :: 5.115 HB2 :: 3.191 HB3 :: 3.313 HD1 :: 7.499 HD2 :: 7.499 HE1 :: 7.336 HE2 :: 7.336 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.289 Ave N Shift Values>> N :: 120.69(4.18) P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 178.782 CA :: 64.856 CB :: 31.591 CG :: 27.600 CD :: 50.156 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.854 HB2 :: 2.436 HB3 :: 1.972 HG2 :: 2.129 HG3 :: 2.129 HD2 :: 3.643 HD3 :: 3.438 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 175.368 CA :: 45.478 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.237 HA2 :: 3.905 HA3 :: 4.456 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.177 Ave N Shift Values>> N :: 109.91(4.29) S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.955 CA :: 61.281 CB :: 63.869 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.760 HA :: 4.063 HB2 :: 3.840 HB3 :: 4.228 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.553 Ave N Shift Values>> N :: 116.3(3.95) I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.34 A 0.1 HN Overlap>> K53 C Shift Assignments>> C :: 175.114 CA :: 57.436 CB :: 41.574 CG1 :: 25.690 CG2 :: 18.479 CD1 :: 13.471 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.774 HA :: 4.643 HB :: 1.870 HG2 :: 0.841 HG12 :: 1.598 HG13 :: 1.528 HD1 :: 0.909 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.715 Ave N Shift Values>> N :: 121.6(4.72) A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.21 C 0.01 C Shift Assignments>> C :: 176.067 CA :: 50.583 CB :: 16.578 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.894 HA :: 4.711 HB :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.609 Ave N Shift Values>> N :: 123.23(3.7) L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.32 R 0.06 G 0.04 C Shift Assignments>> C :: 178.686 CA :: 57.895 CB :: 42.873 CG :: 26.894 CD1 :: 24.262 CD2 :: 24.569 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.949 HA :: 3.902 HB2 :: 1.589 HB3 :: 1.835 HG :: 1.849 HD1 :: 0.966 HD2 :: 1.013 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.486 Ave N Shift Values>> N :: 121.98(4.07) K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.35 R 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 177.189 CA :: 58.250 CB :: 31.892 CG :: 25.454 CD :: 28.980 CE :: 42.208 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.586 HA :: 4.247 HB2 :: 1.904 HB3 :: 1.904 HG2 :: 1.529 HG3 :: 1.529 HD2 :: 1.736 HD3 :: 1.670 HE2 :: 3.045 HE3 :: 3.045 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.870 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 HN Overlap>> I49 C Shift Assignments>> C :: 175.838 CA :: 55.754 CB :: 33.228 CG :: 25.631 CD :: 28.894 CE :: 42.110 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.805 HA :: 4.339 HB2 :: 1.920 HB3 :: 2.058 HG2 :: 1.503 HG3 :: 1.368 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 2.980 HE3 :: 2.980 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.636 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 175.193 CA :: 62.947 CB :: 32.097 CG1 :: 23.756 CG2 :: 19.536 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.368 HA :: 3.453 HB :: 1.930 HG1 :: 0.956 HG2 :: -0.106 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.930 Ave N Shift Values>> N :: 121.02(4.96) K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.28 R 0.26 M 0.03 G 0.01 C Shift Assignments>> C :: 176.683 CA :: 54.080 CB :: 31.671 CG :: 24.699 CD :: 28.915 CE :: 42.396 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.141 HA :: 4.605 HB2 :: 1.811 HB3 :: 1.746 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 3.064 HE3 :: 3.064 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.456 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 176.514 CA :: 61.630 CB :: 38.901 CD1 :: 131.640 CD2 :: 131.640 CE1 :: 131.640 CE2 :: 131.640 CZ :: 129.071 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.587 HA :: 4.001 HB2 :: 2.920 HB3 :: 3.162 HD1 :: 7.282 HD2 :: 7.282 HE1 :: 7.282 HE2 :: 7.282 HZ :: 7.049 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.131 Ave N Shift Values>> N :: 120.69(4.18) Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.27 K 0.19 R 0.11 E 0.04 M 0.01 C Shift Assignments>> C :: 174.752 CA :: 54.407 CB :: 26.971 CG :: 33.893 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.879 HA :: 4.618 HB2 :: 2.310 HB3 :: 2.002 HG2 :: 2.356 HG3 :: 2.356 HE21 :: 7.546 HE22 :: 6.886 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.240 NE2 :: 112.672 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.24 L 0.1 C 0.06 C Shift Assignments>> C :: 176.863 CA :: 53.141 CB :: 20.904 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.015 HA :: 4.086 HB :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.081 Ave N Shift Values>> N :: 123.23(3.7) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.34 R 0.12 G 0.02 C Shift Assignments>> C :: 174.402 CA :: 56.019 CB :: 35.903 CG :: 24.460 CD :: 27.996 CE :: 42.366 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.988 HA :: 4.813 HB2 :: 1.968 HB3 :: 1.795 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.742 HD3 :: 1.698 HE2 :: 3.036 HE3 :: 3.036 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.743 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.27 C 0.13 A 0.06 R 0.01 C Shift Assignments>> C :: 176.393 CA :: 52.673 CB :: 45.014 CG :: 26.948 CD1 :: 26.002 CD2 :: 22.868 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.650 HA :: 4.550 HB2 :: 1.232 HB3 :: 1.493 HG :: 1.529 HD1 :: 0.964 HD2 :: 0.924 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.182 Ave N Shift Values>> N :: 121.98(4.07) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.32 E 0.22 K 0.01 M 0.01 C Shift Assignments>> C :: 177.563 CA :: 60.925 CB :: 29.876 CG :: 37.145 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.665 HA :: 3.487 HB2 :: 2.127 HB3 :: 1.970 HG2 :: 2.221 HG3 :: 2.221 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.850 Ave N Shift Values>> N :: 120.68(3.68) H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 H 0.3 C 0.29 C Shift Assignments>> C :: 177.720 CA :: 59.573 CB :: 29.197 CD2 :: 119.339 CE1 :: 138.864 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.417 HA :: 4.331 HB2 :: 3.083 HB3 :: 3.260 HD2 :: 7.047 HE1 :: 7.851 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 113.167 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.35 I 0.11 M 0.08 K 0.01 C Shift Assignments>> C :: 178.179 CA :: 58.251 CB :: 31.188 CG :: 37.298 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.952 HA :: 4.082 HB2 :: 2.482 HB3 :: 1.787 HG2 :: 1.977 HG3 :: 1.694 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.465 Ave N Shift Values>> N :: 120.68(3.68) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.45 H 0.02 HN Overlap>> Q102 C Shift Assignments>> C :: 178.939 CA :: 56.609 CB :: 36.484 CD1 :: 131.680 CD2 :: 131.680 CE1 :: 117.698 CE2 :: 117.698 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.632 HA :: 4.857 HB2 :: 3.881 HB3 :: 3.588 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 6.620 HE2 :: 6.620 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.009 Ave N Shift Values>> N :: 120.79(4.69) I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.635 CA :: 66.174 CB :: 38.492 CG1 :: 30.706 CG2 :: 17.042 CD1 :: 13.709 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.486 HA :: 3.609 HB :: 1.963 HG2 :: 0.966 HG12 :: 1.007 HG13 :: 2.024 HD1 :: 0.966 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.453 Ave N Shift Values>> N :: 121.6(4.72) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.21 K 0.21 E 0.09 R 0.07 I 0.05 P 0.01 M 0.01 C Shift Assignments>> C :: 178.372 CA :: 59.408 CB :: 27.898 CG :: 33.951 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.513 HA :: 4.042 HB2 :: 2.312 HB3 :: 2.360 HG2 :: 2.536 HG3 :: 2.621 HE21 :: 7.380 HE22 :: 7.125 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.522 NE2 :: 112.258 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.19 Y 0.15 N 0.13 F 0.08 M 0.05 D 0.03 I 0.02 K 0.02 C Shift Assignments>> C :: 177.563 CA :: 55.584 CB :: 37.086 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.987 HA :: 4.451 HB2 :: 3.598 HB3 :: 2.074 HD21 :: 7.681 HD22 :: 7.154 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.891 ND2 :: 105.649 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 178.154 CA :: 63.710 CB :: 40.206 CD1 :: 131.378 CD2 :: 131.378 CE1 :: 131.666 CE2 :: 131.666 CZ :: 131.058 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.426 HA :: 4.197 HB2 :: 2.951 HB3 :: 2.951 HD1 :: 7.083 HD2 :: 7.083 HE1 :: 7.220 HE2 :: 7.220 HZ :: 7.149 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.872 Ave N Shift Values>> N :: 120.69(4.18) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.32 R 0.27 G 0.01 C Shift Assignments>> C :: 180.254 CA :: 60.236 CB :: 32.165 CG :: 26.018 CD :: 29.561 CE :: 42.343 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.764 HA :: 4.205 HB2 :: 2.104 HB3 :: 1.955 HG2 :: 1.501 HG3 :: 1.753 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 3.014 HE3 :: 3.111 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.482 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.902 CA :: 64.989 CB :: 37.335 CG1 :: 29.179 CG2 :: 18.402 CD1 :: 14.403 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.802 HA :: 3.799 HB :: 2.338 HG2 :: 0.952 HG12 :: 1.214 HG13 :: 1.785 HD1 :: 0.853 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.891 Ave N Shift Values>> N :: 121.6(4.72) L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.39 R 0.14 K 0.02 C Shift Assignments>> C :: 177.503 CA :: 58.094 CB :: 41.510 CG :: 26.299 CD1 :: 27.403 CD2 :: 24.284 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.820 HA :: 3.991 HB2 :: 1.558 HB3 :: 2.066 HG :: 1.010 HD1 :: 1.013 HD2 :: 1.052 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.150 Ave N Shift Values>> N :: 121.98(4.07) Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.22 Q 0.19 K 0.16 M 0.07 I 0.03 R 0.01 C Shift Assignments>> C :: 178.191 CA :: 58.509 CB :: 29.831 CG :: 34.635 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.945 HA :: 3.798 HB2 :: 2.278 HB3 :: 2.278 HG2 :: 2.485 HG3 :: 2.419 HE21 :: 7.154 HE22 :: 7.883 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.116 NE2 :: 115.154 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.664 CA :: 55.032 CB :: 17.946 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.966 HA :: 4.367 HB :: 1.649 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.835 Ave N Shift Values>> N :: 123.23(3.7) G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.27 P 0.12 A 0.06 N 0.02 L 0.02 C Shift Assignments>> C :: 175.270 CA :: 47.846 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.194 HA2 :: 3.690 HA3 :: 4.206 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.283 Ave N Shift Values>> N :: 109.91(4.29) F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 F 0.23 C Shift Assignments>> C :: 177.950 CA :: 59.174 CB :: 36.523 CD1 :: 129.562 CD2 :: 129.562 CE1 :: 131.501 CE2 :: 131.501 CZ :: 127.419 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.969 HA :: 4.394 HB2 :: 3.794 HB3 :: 3.589 HD1 :: 7.340 HD2 :: 7.340 HE1 :: 7.455 HE2 :: 7.455 HZ :: 7.558 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.395 Ave N Shift Values>> N :: 120.69(4.18) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.2 M 0.01 C Shift Assignments>> C :: 180.073 CA :: 59.504 CB :: 32.160 CG :: 25.184 CD :: 28.704 CE :: 41.891 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.349 HA :: 4.186 HB2 :: 2.089 HB3 :: 2.089 HG2 :: 1.574 HG3 :: 1.639 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.641 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.1 K 0.07 HN Overlap>> A15 C Shift Assignments>> C :: 177.599 CA :: 59.191 CB :: 30.269 CG :: 27.668 CD :: 43.542 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.237 HA :: 4.136 HB2 :: 2.080 HB3 :: 2.118 HG2 :: 1.857 HG3 :: 1.778 HD2 :: 3.302 HD3 :: 3.350 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.189 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.33 A 0.16 C Shift Assignments>> C :: 176.019 CA :: 53.639 CB :: 31.197 CG :: 31.543 CE :: 15.848 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.673 HA :: 4.693 HB2 :: 1.822 HB3 :: 1.951 HG2 :: 2.491 HG3 :: 2.275 HE :: 1.725 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 113.507 Ave N Shift Values>> N :: 120.1(3.88) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 174.112 CA :: 46.561 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.817 HA2 :: 3.852 HA3 :: 4.046 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.077 Ave N Shift Values>> N :: 109.91(4.29) V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 175.500 CA :: 62.271 CB :: 31.923 CG1 :: 20.371 CG2 :: 20.938 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.400 HA :: 3.793 HB :: 1.715 HG1 :: 0.139 HG2 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.026 Ave N Shift Values>> N :: 121.02(4.96) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.26 C 0.13 L 0.1 F 0.08 Y 0.08 K 0.02 C Shift Assignments>> C :: 174.450 CA :: 53.745 CB :: 39.934 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.689 HA :: 4.508 HB2 :: 2.736 HB3 :: 2.584 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 129.190 Ave N Shift Values>> N :: 120.73(4.2) K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 K 0.36 R 0.05 A 0.03 M 0.01 C Shift Assignments>> C :: 174.368 CA :: 54.917 CB :: 34.933 CG :: 23.073 CD :: 28.186 CE :: 41.824 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.065 HA :: 4.002 HB2 :: 1.145 HB3 :: 1.253 HG2 :: -0.359(S) HG3 :: 0.420 HD2 :: 1.187 HD3 :: 0.312(S) HE2 :: 1.403(S) HE3 :: 1.958(S) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.996 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 175.741 CA :: 59.440 CB :: 36.786 CG1 :: 26.931 CG2 :: 17.141 CD1 :: 11.374 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.580 HA :: 4.190 HB :: 1.769 HG2 :: 0.729 HG12 :: 1.235 HG13 :: 1.515 HD1 :: 0.791 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.097 Ave N Shift Values>> N :: 121.6(4.72) I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 175.433 CA :: 59.571 CB :: 39.076 CG1 :: 28.099 CG2 :: 17.262 CD1 :: 14.003 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.047 HA :: 3.711 HB :: 1.520 HG2 :: 0.052 HG12 :: 0.758 HG13 :: 1.684 HD1 :: 0.492 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 130.713 Ave N Shift Values>> N :: 121.6(4.72) P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.83 P 0.16 C Shift Assignments>> C :: 175.036 CA :: 61.452 CB :: 27.516 CG :: 26.960 CD :: 50.372 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.864 HB2 :: 2.129 HB3 :: 1.810 HG2 :: 1.654 HG3 :: 2.152 HD2 :: 3.054 HD3 :: 3.701 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 174.957 CA :: 67.546 CB :: 32.626 CG1 :: 21.920 CG2 :: 22.810 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.163 HA :: 2.496 HB :: 1.866 HG1 :: 0.882 HG2 :: 0.833 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.880 Ave N Shift Values>> N :: 121.02(4.96) D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.21 C 0.17 D 0.12 L 0.09 K 0.05 I 0.04 N 0.03 C Shift Assignments>> C :: 177.238 CA :: 56.882 CB :: 40.025 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.239 HA :: 4.128 HB2 :: 2.484 HB3 :: 2.580 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.083 Ave N Shift Values>> N :: 120.73(4.2) K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.01 C Shift Assignments>> C :: 178.999 CA :: 57.799 CB :: 32.992 CG :: 25.192 CD :: 28.733 CE :: 42.101 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.148 HA :: 4.186 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.330 HG3 :: 1.481 HD2 :: 1.579 HD3 :: 1.651 HE2 :: 2.963 HE3 :: 2.963 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.864 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.47 C 0.47 R 0.03 C Shift Assignments>> C :: 180.809 CA :: 58.239 CB :: 41.409 CG :: 25.989 CD1 :: 26.112 CD2 :: 22.075 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.824 HA :: 3.818 HB2 :: 1.057 HB3 :: 1.181 HG :: 1.270 HD1 :: -0.400(S) HD2 :: 0.466 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.776 Ave N Shift Values>> N :: 121.98(4.07) V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.114 CA :: 64.458 CB :: 31.914 CG1 :: 22.221 CG2 :: 17.412 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.847 HA :: 4.358 HB :: 2.795 HG1 :: 1.333 HG2 :: 1.035 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 108.352 Ave N Shift Values>> N :: 121.02(4.96) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 R 0.32 C 0.3 M 0.01 G 0.01 C Shift Assignments>> C :: 178.263 CA :: 55.772 CB :: 31.761 CG :: 24.710 CD :: 27.798 CE :: 42.379 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.023 HA :: 4.378 HB2 :: 2.030 HB3 :: 2.094 HG2 :: 1.687 HG3 :: 1.687 HE2 :: 3.081 HE3 :: 3.081 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.166 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 173.365 CA :: 47.075 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.044 HA2 :: 3.734 HA3 :: 4.144 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.828 Ave N Shift Values>> N :: 109.91(4.29) K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.32 R 0.23 M 0.01 C Shift Assignments>> C :: 178.835 CA :: 54.909 CB :: 32.583 CG :: 25.183 CD :: 28.210 CE :: 42.056 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.753 HA :: 4.735 HB2 :: 2.066 HB3 :: 2.111 HG2 :: 1.579 HG3 :: 1.498 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.105 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.38 C 0.17 C Shift Assignments>> C :: 176.791 CA :: 63.898 CB :: 39.430 CD1 :: 131.991 CD2 :: 131.991 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.269 HA :: 3.842 HB2 :: 3.463 HB3 :: 3.065 HD1 :: 7.214 HD2 :: 7.214 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.142 Ave N Shift Values>> N :: 120.69(4.18) Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.18 P 0.14 Q 0.13 R 0.12 I 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 178.034 CA :: 60.490 CB :: 27.708 CG :: 33.061 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.342 HA :: 3.799 HB2 :: 2.427 HB3 :: 2.066 HG2 :: 2.580 HG3 :: 2.498 HE21 :: 8.066 HE22 :: 6.965 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.991 NE2 :: 112.729 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.16 F 0.15 C 0.12 Y 0.12 D 0.1 R 0.07 I 0.02 N 0.01 C Shift Assignments>> C :: 178.673 CA :: 56.925 CB :: 41.449 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.714 HA :: 4.396 HB2 :: 2.377 HB3 :: 2.432 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 113.656 Ave N Shift Values>> N :: 120.73(4.2) N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.09 I 0.07 L 0.06 N 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 177.069 CA :: 57.247 CB :: 39.538 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.301 HA :: 4.490 HB2 :: 2.740 HB3 :: 2.338 HD21 :: 7.957 HD22 :: 7.406 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.544 ND2 :: 110.311 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 176.888 CA :: 59.129 CB :: 38.803 CD1 :: 131.576 CD2 :: 131.576 CE1 :: 129.358 CE2 :: 129.358 CZ :: 131.053 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.294 HA :: 4.359 HB2 :: 2.056 HB3 :: 2.683 HD1 :: 7.127 HD2 :: 7.127 HE1 :: 6.336 HE2 :: 6.336 HZ :: 7.331 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.815 Ave N Shift Values>> N :: 120.69(4.18) E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.337 CA :: 59.725 CB :: 29.372 CG :: 36.727 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.270 HA :: 3.917 HB2 :: 2.166 HB3 :: 2.113 HG2 :: 2.634 HG3 :: 2.369 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.938 Ave N Shift Values>> N :: 120.68(3.68) F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.31 C Shift Assignments>> C :: 176.586 CA :: 62.515 CB :: 39.603 CD1 :: 132.319 CD2 :: 132.319 CE1 :: 129.396 CE2 :: 129.396 CZ :: 130.860 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.771 HA :: 4.614 HB2 :: 3.208 HB3 :: 3.208 HD1 :: 7.301 HD2 :: 7.301 HE1 :: 7.228 HE2 :: 7.228 HZ :: 7.151 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.633 Ave N Shift Values>> N :: 120.69(4.18) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 175.910 CA :: 65.377 CB :: 30.271 CG1 :: 20.653 CG2 :: 23.864 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.127 HA :: 4.361 HB :: 2.741 HG1 :: 1.293 HG2 :: 1.434 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.662 Ave N Shift Values>> N :: 121.02(4.96) Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.29 K 0.1 Q 0.1 I 0.1 M 0.05 HN Overlap>> Y64 C Shift Assignments>> C :: 178.444 CA :: 59.722 CB :: 30.006 CG :: 35.203 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.558 HA :: 3.912 HB2 :: 1.935 HB3 :: 1.893 HG2 :: 2.104 HG3 :: 1.873 HE21 :: 6.722 HE22 :: 5.943 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.074 NE2 :: 111.241 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.71 C 0.27 C Shift Assignments>> C :: 176.140 CA :: 62.386 CB :: 27.549 CD1 :: 126.881 CE3 :: 120.093 CZ2 :: 114.008 CZ3 :: 120.815 CH2 :: 123.892 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.513 HA :: 3.848 HB2 :: 3.267 HB3 :: 3.393 HD1 :: 7.286 HE1 :: 10.071 HE3 :: 6.722 HZ2 :: 6.438 HZ3 :: 6.730 HH2 :: 5.814 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.960 NE1 :: 129.974 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) F104 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.26 C Shift Assignments>> C :: 176.478 CA :: 61.668 CB :: 40.295 CD1 :: 132.331 CD2 :: 132.331 CE1 :: 130.411 CE2 :: 130.411 CZ :: 128.302 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.770 HA :: 3.153 HB2 :: 2.703 HB3 :: 3.229 HD1 :: 7.267 HD2 :: 7.267 HE1 :: 6.440 HE2 :: 6.440 HZ :: 7.123 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.483 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HA > HB3 : 0.9955) K105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.19 M 0.01 HN Overlap>> N18 E19 C Shift Assignments>> C :: 177.177 CA :: 59.130 CB :: 32.407 CG :: 24.603 CD :: 28.481 CE :: 41.832 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.656 HA :: 3.442 HB2 :: 1.433 HB3 :: 1.227 HG2 :: 0.664 HG3 :: -0.142(S) HD2 :: 0.668(S) HD3 :: 0.422(S) HE2 :: 1.754(S) HE3 :: 2.358 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.561 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.23 M 0.02 C Shift Assignments>> C :: 178.154 CA :: 58.800 CB :: 31.693 CG :: 24.866 CD :: 29.101 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.039 HA :: 3.744 HB2 :: 1.634 HB3 :: 1.634 HG2 :: 1.314 HG3 :: 1.209 HD2 :: 1.558 HD3 :: 1.558 HE2 :: 2.874 HE3 :: 2.874 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.495 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 177.177 CA :: 60.597 CB :: 38.558 CD1 :: 131.489 CD2 :: 131.489 CE1 :: 130.669 CE2 :: 130.669 CZ :: 129.174 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.812 HA :: 3.598 HB2 :: 1.628(S) HB3 :: 1.549(S) HD1 :: 6.027 HD2 :: 6.027 HE1 :: 6.976 HE2 :: 6.976 HZ :: 7.112 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.993 Ave N Shift Values>> N :: 120.69(4.18) F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.34 C 0.25 HN Overlap>> G115 C Shift Assignments>> C :: 176.550 CA :: 60.474 CB :: 39.527 CD1 :: 132.069 CD2 :: 132.069 CZ :: 131.058 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.146 HA :: 3.994 HB2 :: 3.159 HB3 :: 2.540 HD1 :: 6.973 HD2 :: 6.973 HZ :: 7.149 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.938 Ave N Shift Values>> N :: 120.69(4.18) D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.15 C 0.11 F 0.1 Y 0.08 N 0.05 R 0.04 HN Overlap>> L31 C Shift Assignments>> C :: 176.236 CA :: 55.084 CB :: 41.257 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.234 HA :: 4.653 HB2 :: 2.517 HB3 :: 2.641 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 120.73(4.2) S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.462 CA :: 59.027 CB :: 63.899 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.893 HA :: 4.368 HB2 :: 3.841 HB3 :: 3.889 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.783 Ave N Shift Values>> N :: 116.3(3.95) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 171.434 CA :: 45.098 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.974 HA2 :: 3.979 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.503 Ave N Shift Values>> N :: 109.91(4.29) P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 176.776 CA :: 63.450 CB :: 32.122 CG :: 26.928 CD :: 49.777 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.413 HB2 :: 2.201 HB3 :: 1.967 HG2 :: 1.918 HG3 :: 1.918 HD2 :: 3.533 HD3 :: 3.533 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.306 CA :: 57.787 CB :: 63.911 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.402 HA :: 4.503 HB2 :: 3.840 HB3 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.993 Ave N Shift Values>> N :: 116.3(3.95) S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.594 CA :: 58.457 CB :: 63.683 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.309 HA :: 4.474 HB2 :: 3.884 HB3 :: 3.884 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.900 Ave N Shift Values>> N :: 116.3(3.95) G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 HN Overlap>> F108 C Shift Assignments>> C :: 178.613 CA :: 46.247 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.054 HA2 :: 3.796 HA3 :: 3.796 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.879 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 1 C Shift Results: #Consistent: 539 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 712 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 125 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: E29 H = 11.301(S), Expected = 8.34, Std = 0.6100, ChiSquare = 1.2094e-06 K82 HG2 = -0.359(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.1889e-10 K82 HD3 = 0.312(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.0805e-07 K82 HE2 = 1.403(S), Expected = 2.93, Std = 0.2000, ChiSquare = 2.2582e-14 K82 HE3 = 1.958(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.1739e-06 L89 HD1 = -0.400(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.4687e-05 F104 SRO Rule Break>> HA > HB3 : 0.99548625359048 K105 HG3 = -0.142(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.8502e-07 K105 HD2 = 0.668(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.6456e-04 K105 HD3 = 0.422(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.0141e-06 K105 HE2 = 1.754(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.1027e-09 F107 HB2 = 1.628(S), Expected = 2.99, Std = 0.3700, ChiSquare = 2.3225e-04 F107 HB3 = 1.549(S), Expected = 2.97, Std = 0.3800, ChiSquare = 1.8441e-04