N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.22 C 0.15 Y 0.09 F 0.08 L 0.05 C Shift Assignments>> C :: 174.006 CA :: 53.509 CB :: 39.113 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>> HB2 :: 3.080 HB3 :: 2.880 HD21 :: 7.646 HD22 :: 5.716 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 :: 108.520 ND2 :: 111.481 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.43 K 0.04 C Shift Assignments>> C :: 176.360 CA :: 60.304 CB :: 29.943 CG :: 36.897 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 :: 8.981 HA :: 3.907 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 2.232 HG3 :: 2.189 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 :: 130.121 Ave N Shift Values>> N :: 120.68(3.68) C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.26 C 0.23 K 0.07 L 0.02 R 0.02 C Shift Assignments>> C :: 175.872 CA :: 60.878 CB :: 40.833 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.621 HA :: 4.007 HB2 :: 3.238 HB3 :: 3.063 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 :: 117.819 Ave N Shift Values>> N :: 119.95(4.79) V4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 181.462(M) CA :: 65.071 CB :: 32.769 CG1 :: 21.538 CG2 :: 23.408 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 :: 7.452 HA :: 3.976 HB :: 1.711 HG1 :: 1.035 HG2 :: 0.971 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 :: 117.425 Ave N Shift Values>> N :: 121.02(4.96) S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 P 0.28 T 0.27 C 0.03 F 0.03 Y 0.02 W 0.01 S 0.01 C Shift Assignments>> C :: 176.180 CA :: 62.908 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.687 HA :: 4.203 HB2 :: 3.970 HB3 :: 3.970 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 :: 119.771 Ave N Shift Values>> N :: 116.3(3.95) K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.36 R 0.24 G 0.02 C Shift Assignments>> C :: 175.319 CA :: 56.610 CB :: 33.052 CG :: 25.618 CD :: 28.596 CE :: 42.670 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 :: 7.654 HA :: 4.107 HB2 :: 1.849 HB3 :: 1.680 HG2 :: 1.208 HG3 :: 0.912 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 :: 119.141 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.951 CA :: 44.937 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.788 HA2 :: 3.845 HA3 :: 3.575 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.308 Ave N Shift Values>> N :: 109.91(4.29) F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 C 0.21 D 0.13 N 0.08 L 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 173.509 CA :: 56.464 CB :: 39.288 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 :: 7.653 HA :: 5.121 HB2 :: 3.632 HB3 :: 2.930 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 7.294 HE2 :: 7.294 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 :: 121.610 Ave N Shift Values>> N :: 120.69(4.18) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 171.051 CA :: 45.064 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.858 HA2 :: 4.598 HA3 :: 3.781 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.009 Ave N Shift Values>> N :: 109.91(4.29) C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.2 D 0.1 Y 0.07 F 0.04 E 0.03 L 0.01 C Shift Assignments>> C :: 175.256 CA :: 52.817 CB :: 37.847 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.568 HA :: 5.615 HB2 :: 3.058 HB3 :: 2.654 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 :: 119.905 Ave N Shift Values>> N :: 119.95(4.79) L11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.257 HA :: 4.971 HB2 :: 1.267 HB3 :: 1.526 HG :: 1.599 HD1 :: 1.030 HD2 :: 0.881 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 :: 128.013 Ave N Shift Values>> N :: 121.98(4.07) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 177.869 CA :: 63.244 CB :: 32.812 CG :: 28.686 CD :: 50.991 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 :: 4.362 HB2 :: 2.129 HB3 :: 1.850 HG2 :: 2.411 HG3 :: 2.411 HD2 :: 3.851 HD3 :: 3.636 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) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.19 K 0.16 Q 0.14 P 0.04 R 0.02 C Shift Assignments>> C :: 177.775 CA :: 60.778 CB :: 28.449 CG :: 34.721 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 :: 9.295 HA :: 3.716 HB2 :: 2.064 HB3 :: 2.025 HG2 :: 2.414 HG3 :: 2.265 HE21 :: 6.957 HE22 :: 7.446 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 :: 123.453 NE2 :: 111.712 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.805 CA :: 60.790 CB :: 63.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.253 HA :: 4.014 HB2 :: 3.915 HB3 :: 3.794 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 :: 110.942 Ave N Shift Values>> N :: 116.3(3.95) D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 D 0.12 C 0.11 K 0.07 G 0.05 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 173.985 CA :: 54.493 CB :: 43.211 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 :: 7.709 HA :: 4.798 HB2 :: 2.865 HB3 :: 2.515 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 :: 119.678 Ave N Shift Values>> N :: 120.73(4.2) C16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.352 HA :: 5.178 HB2 :: 3.134 HB3 :: 2.325 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 :: 120.000 Ave N Shift Values>> N :: 119.95(4.79) P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.709 CA :: 63.272 CB :: 32.899 CG :: 27.584 CD :: 51.491 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 :: 4.460 HB2 :: 2.043 HB3 :: 2.043 HG2 :: 2.425 HG3 :: 2.425 HD2 :: 3.896 HD3 :: 3.506 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) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.21 Q 0.19 E 0.1 P 0.05 R 0.05 C Shift Assignments>> C :: 178.062 CA :: 60.724 CB :: 28.971 CG :: 33.705 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 :: 8.822 HA :: 3.520 HB2 :: 2.008 HB3 :: 1.954 HG2 :: 2.420 HG3 :: 2.124 HE21 :: 6.891 HE22 :: 7.521 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 :: 121.193 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.4 K 0.11 Q 0.03 C Shift Assignments>> C :: 176.076 CA :: 58.927 CB :: 28.772 CG :: 36.404 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 :: 9.579 HA :: 4.168 HB2 :: 2.067 HB3 :: 2.042 HG2 :: 2.306 HG3 :: 2.259 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 :: 116.364 Ave N Shift Values>> N :: 120.68(3.68) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.05 L 0.03 C Shift Assignments>> C :: 175.218 CA :: 51.276 CB :: 20.551 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.301 HA :: 4.514 HB :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.364 Ave N Shift Values>> N :: 123.23(3.7) R21 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.41 R 0.28 G 0.27 K 0.02 C Shift Assignments>> C :: 176.420 CA :: 57.565 CB :: 31.129 CG :: 28.689 CD :: 44.596 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 :: 7.111 HA :: 4.557 HB2 :: 1.783 HB3 :: 1.829 HG2 :: 1.943 HG3 :: 1.483 HD2 :: 3.223 HD3 :: 3.042 HE :: 6.956 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 :: 119.064 NE :: 130.716(M) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.13 L 0.08 C Shift Assignments>> C :: 177.727 CA :: 52.987 CB :: 46.282 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 :: 8.501 HA :: 4.594 HB2 :: 1.004 HB3 :: 1.004 HG :: 1.270 HD1 :: 0.544 HD2 :: -0.025 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 :: 123.232 Ave N Shift Values>> N :: 121.98(4.07) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.681 CA :: 58.636 CB :: 63.589 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.327 HA :: 4.311 HB2 :: 3.758 HB3 :: 3.698 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 :: 115.174 Ave N Shift Values>> N :: 116.3(3.95) Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.22 D 0.07 L 0.05 N 0.02 E 0.02 K 0.01 C Shift Assignments>> C :: 176.274 CA :: 57.589 CB :: 39.333 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 :: 6.036 HA :: 4.546 HB2 :: 3.057 HB3 :: 2.968 HD1 :: 7.144 HD2 :: 7.144 HE1 :: 6.892 HE2 :: 6.892 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 :: 118.330 Ave N Shift Values>> N :: 120.79(4.69) G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 172.146 CA :: 45.208 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.098 HA2 :: 4.410 HA3 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.486 Ave N Shift Values>> N :: 109.91(4.29) G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 175.468 CA :: 45.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.127 HA2 :: 4.782 HA3 :: 3.538 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.483 Ave N Shift Values>> N :: 109.91(4.29) C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.21 D 0.09 Y 0.06 F 0.04 E 0.02 L 0.01 C Shift Assignments>> C :: 175.970 CA :: 52.511 CB :: 37.726 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.990 HA :: 5.025 HB2 :: 2.747 HB3 :: 2.654 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 :: 118.929 Ave N Shift Values>> N :: 119.95(4.79) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.284 CA :: 60.432 CB :: 63.091 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.289 HA :: 4.784 HB2 :: 3.968 HB3 :: 3.968 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 :: 118.958 Ave N Shift Values>> N :: 116.3(3.95) T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.38 T 0.33 C 0.27 C Shift Assignments>> C :: 172.916 CA :: 60.211 CB :: 66.261 CG2 :: 22.255 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 :: 6.905 HA :: 4.370 HB :: 4.369 HG2 :: 1.141 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 :: 112.054 Ave N Shift Values>> N :: 115.7(5.05) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 172.259 CA :: 60.443 CB :: 35.400 CG1 :: 21.470 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 :: 8.444 HA :: 4.521 HB :: 2.181 HG1 :: 1.042 HG2 :: 0.941 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 :: 121.183 Ave N Shift Values>> N :: 121.02(4.96) C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.25 F 0.2 E 0.08 N 0.07 D 0.07 L 0.03 C Shift Assignments>> C :: 172.576 CA :: 56.732 CB :: 38.456 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.694 HA :: 5.040 HB2 :: 3.049 HB3 :: 2.909 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 :: 124.921 Ave N Shift Values>> N :: 119.95(4.79) C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 G 0.04 C Shift Assignments>> C :: 173.026 CA :: 55.951 CB :: 49.477 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.791 HA :: 5.160 HB2 :: 3.084 HB3 :: 2.558 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 :: 131.977 Ave N Shift Values>> N :: 119.95(4.79) D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.28 C 0.13 L 0.08 Y 0.07 F 0.06 K 0.01 C Shift Assignments>> C :: 176.025 CA :: 53.061 CB :: 39.773 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 :: 9.331 HA :: 4.909 HB2 :: 2.966 HB3 :: 2.226 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 :: 126.220 Ave N Shift Values>> N :: 120.73(4.2) L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.43 R 0.09 K 0.01 C Shift Assignments>> C :: 179.100 CA :: 57.421 CB :: 40.894 CG :: 28.378 CD1 :: 25.503 CD2 :: 23.381 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 :: 7.947 HA :: 3.972 HB2 :: 1.957 HB3 :: 1.721 HG :: 1.870 HD1 :: 0.964 HD2 :: 0.861 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 :: 123.799 Ave N Shift Values>> N :: 121.98(4.07) S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.855 CA :: 61.401 CB :: 63.389 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.493 HA :: 4.359 HB2 :: 4.069 HB3 :: 4.069 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 :: 114.769 Ave N Shift Values>> N :: 116.3(3.95) K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.32 K 0.3 G 0.02 C Shift Assignments>> C :: 176.356 CA :: 56.352 CB :: 33.178 CG :: 25.875 CD :: 29.616 CE :: 42.850 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 :: 7.670 HA :: 4.361 HB2 :: 2.038 HB3 :: 1.806 HG2 :: 1.489 HG3 :: 1.352 HD2 :: 1.597 HD3 :: 1.597 HE2 :: 3.007 HE3 :: 3.007 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 :: 120.381 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.23 K 0.17 A 0.02 G 0.01 C Shift Assignments>> C :: 176.769 CA :: 54.704 CB :: 42.242 CG :: 26.736 CD1 :: 23.300 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 :: 7.406 HA :: 4.508 HB2 :: 1.794 HB3 :: 1.612 HG :: 1.789 HD1 :: 0.972 HD2 :: 0.856 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 :: 119.448 Ave N Shift Values>> N :: 121.98(4.07) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 175.706 CA :: 61.167 CB :: 71.530 CG2 :: 22.088 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 :: 7.914 HA :: 4.522 HB :: 4.267 HG2 :: 1.229 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 :: 111.327 Ave N Shift Values>> N :: 115.7(5.05) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 174.305 CA :: 46.097 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.539 HA2 :: 4.083 HA3 :: 3.987 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.116 Ave N Shift Values>> N :: 109.91(4.29) C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.29 C 0.27 E 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 176.285 CA :: 59.324 CB :: 38.632 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.959 HA :: 3.933 HB2 :: 2.974 HB3 :: 2.659 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 :: 117.472 Ave N Shift Values>> N :: 119.95(4.79) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.22 G 0.01 C Shift Assignments>> C :: 180.907 CA :: 58.937 CB :: 32.340 CG :: 25.167 CD :: 29.772 CE :: 42.254 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 :: 8.493 HA :: 4.389 HB2 :: 1.834 HB3 :: 1.834 HG2 :: 1.551 HG3 :: 1.551 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 :: 118.794 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.04 C Shift Assignments>> C :: 174.604 CA :: 47.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.846 HA2 :: 3.949 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.634 Ave N Shift Values>> N :: 109.91(4.29) K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.28 G 0.03 C Shift Assignments>> C :: 176.289 CA :: 54.671 CB :: 32.545 CG :: 24.997 CD :: 28.427 CE :: 42.898 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 :: 7.283 HA :: 4.455 HB2 :: 2.056 HB3 :: 1.602 HG2 :: 1.426 HG3 :: 1.426 HE2 :: 2.962 HE3 :: 2.962 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 :: 117.605 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.885 CA :: 45.887 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.852 HA2 :: 4.226 HA3 :: 3.852 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.353 Ave N Shift Values>> N :: 109.91(4.29) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.289 CA :: 44.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.094 HA2 :: 4.725 HA3 :: 3.267 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.196 Ave N Shift Values>> N :: 109.91(4.29) E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 E 0.05 C Shift Assignments>> C :: 176.927 CA :: 55.005 CB :: 34.776 CG :: 36.686 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 :: 9.027 HA :: 4.576 HB2 :: 1.935 HB3 :: 1.873 HG2 :: 2.243 HG3 :: 2.173 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 :: 117.227 Ave N Shift Values>> N :: 120.68(3.68) C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Y 0.19 N 0.17 E 0.14 F 0.11 D 0.06 L 0.01 K 0.01 C Shift Assignments>> C :: 174.559 CA :: 55.568 CB :: 37.623 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.464 HA :: 5.363 HB2 :: 3.072 HB3 :: 2.845 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 :: 129.581 Ave N Shift Values>> N :: 119.95(4.79) N48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.791 HA :: 5.281 HB2 :: 2.593 HB3 :: 2.435 HD21 :: 6.761 HD22 :: 7.986 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 :: 125.864 ND2 :: 112.547 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.910 CA :: 63.224 CB :: 33.044 CG :: 28.354 CD :: 50.944 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 :: 4.725 HB2 :: 2.126 HB3 :: 2.129 HG2 :: 2.518 HG3 :: 2.518 HD2 :: 3.939 HD3 :: 3.643 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) L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.33 R 0.11 G 0.02 C Shift Assignments>> C :: 177.206 CA :: 58.112 CB :: 42.404 CG :: 27.038 CD1 :: 25.447 CD2 :: 23.312 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 :: 7.464 HA :: 3.636 HB2 :: 1.615 HB3 :: 1.491 HG :: 1.491 HD1 :: 0.888 HD2 :: 0.745 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 :: 117.740 Ave N Shift Values>> N :: 121.98(4.07) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.19 C 0.13 L 0.12 F 0.1 Y 0.09 K 0.04 C Shift Assignments>> C :: 176.581 CA :: 54.242 CB :: 40.235 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 :: 8.163 HA :: 4.403 HB2 :: 2.783 HB3 :: 2.579 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 :: 113.374 Ave N Shift Values>> N :: 120.73(4.2) R52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.42 C 0.34 K 0.18 G 0.04 C Shift Assignments>> C :: 176.052 CA :: 55.875 CB :: 31.039 CG :: 27.371 CD :: 43.058 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 :: 7.556 HA :: 4.188 HB2 :: 1.859 HB3 :: 1.758 HG2 :: 1.801 HG3 :: 1.661 HD2 :: 3.344 HD3 :: 3.284 HE :: 7.331 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 :: 121.820 NE :: 132.294(M) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.25 E 0.1 R 0.07 C Shift Assignments>> C :: 175.141 CA :: 56.006 CB :: 28.080 CG :: 34.040 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 :: 8.962 HA :: 4.485 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.424 HG3 :: 2.361 HE21 :: 6.833 HE22 :: 7.508 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 :: 127.783 NE2 :: 112.169 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.21 G 0.15 C 0.12 D 0.09 K 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 171.469 CA :: 54.032 CB :: 43.805 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.067 HA :: 4.758 HB2 :: 3.058 HB3 :: 2.788 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 :: 120.676 Ave N Shift Values>> N :: 119.95(4.79) K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.23 G 0.01 C Shift Assignments>> C :: 173.031 CA :: 56.356 CB :: 31.689 CG :: 24.872 CD :: 29.702 CE :: 42.368 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 :: 8.666 HA :: 4.272 HB2 :: 1.823 HB3 :: 1.647 HG2 :: 1.340 HG3 :: 1.204 HD2 :: 1.577 HD3 :: 1.577 HE2 :: 2.944 HE3 :: 2.944 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 :: 123.037 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.41 K 0.02 Q 0.01 C Shift Assignments>> C :: 177.082 CA :: 55.389 CB :: 31.747 CG :: 36.612 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 :: 8.454 HA :: 4.744 HB2 :: 1.875 HB3 :: 1.840 HG2 :: 2.178 HG3 :: 2.178 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 :: 129.319 Ave N Shift Values>> N :: 120.68(3.68) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 K 0.26 C 0.21 R 0.01 C Shift Assignments>> C :: 176.109 CA :: 53.125 CB :: 40.818 CG :: 27.621 CD1 :: 24.740 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 :: 8.648 HA :: 4.587 HB2 :: 1.540 HB3 :: 1.201 HG :: 1.420 HD1 :: 0.813 HD2 :: 0.784 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 :: 129.908 Ave N Shift Values>> N :: 121.98(4.07) Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.19 Q 0.18 E 0.16 P 0.03 R 0.03 C Shift Assignments>> C :: 178.413 CA :: 60.633 CB :: 28.800 CG :: 34.295 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 :: 8.080 HA :: 3.967 HB2 :: 2.077 HB3 :: 1.968 HG2 :: 2.381 HG3 :: 2.381 HE21 :: 6.827 HE22 :: 7.587 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 :: 122.793 NE2 :: 111.783 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.07 V 0.02 L 0.02 C Shift Assignments>> C :: 178.491 CA :: 54.806 CB :: 19.061 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.919 HA :: 4.165 HB :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.162 Ave N Shift Values>> N :: 123.23(3.7) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 Q 0.17 K 0.09 C Shift Assignments>> C :: 179.093 CA :: 54.679 CB :: 30.933 CG :: 35.249 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 :: 7.586 HA :: 4.979 HB2 :: 1.707 HB3 :: 2.032 HG2 :: 2.099 HG3 :: 2.099 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 :: 111.041 Ave N Shift Values>> N :: 120.68(3.68) S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 176.082 CA :: 63.868 CB :: 62.896 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.948 HA :: 4.106 HB2 :: 4.167 HB3 :: 4.167 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 :: 121.725 Ave N Shift Values>> N :: 116.3(3.95) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.07 V 0.01 C Shift Assignments>> C :: 179.966 CA :: 55.189 CB :: 17.658 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.874 HA :: 4.219 HB :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.831 Ave N Shift Values>> N :: 123.23(3.7) S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.627 CA :: 60.785 CB :: 64.097 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.825 HA :: 4.353 HB2 :: 4.192 HB3 :: 4.192 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 :: 113.211 Ave N Shift Values>> N :: 116.3(3.95) C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 N 0.2 Y 0.19 F 0.14 D 0.13 E 0.05 L 0.03 C Shift Assignments>> C :: 174.994 CA :: 55.364 CB :: 38.530 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.761 HA :: 4.736 HB2 :: 3.052 HB3 :: 2.869 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 :: 119.991 Ave N Shift Values>> N :: 119.95(4.79) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.915 CA :: 44.366 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.520 HA2 :: 4.212 HA3 :: 3.863 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.807 Ave N Shift Values>> N :: 109.91(4.29) K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 178.702 CA :: 58.241 CB :: 32.641 CG :: 24.841 CD :: 29.624 CE :: 42.398 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 :: 8.267 HA :: 4.081 HB2 :: 1.807 HB3 :: 1.764 HG2 :: 1.505 HG3 :: 1.418 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 :: 119.181 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.817 CA :: 45.935 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.284 HA2 :: 4.192 HA3 :: 3.696 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.948 Ave N Shift Values>> N :: 109.91(4.29) Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.2 E 0.18 N 0.04 Y 0.03 H 0.03 W 0.03 R 0.02 V 0.01 C Shift Assignments>> C :: 173.101 CA :: 54.658 CB :: 34.783 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 :: 7.793 HA :: 5.158 HB2 :: 1.894 HB3 :: 1.737 HG2 :: 2.145 HG3 :: 1.852 HE21 :: 6.484 HE22 :: 7.250 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 :: 118.408 NE2 :: 109.994 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 N 0.23 E 0.18 Y 0.07 K 0.05 F 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 172.805 CA :: 53.947 CB :: 36.169 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 :: 9.464 HA :: 4.665 HB2 :: 1.838 HB3 :: 1.732 HG2 :: 1.611 HG3 :: 1.491 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 :: 115.158 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.2 Y 0.18 D 0.16 F 0.15 L 0.05 E 0.03 C Shift Assignments>> C :: 173.966 CA :: 55.275 CB :: 38.909 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.132 HA :: 4.886 HB2 :: 3.277 HB3 :: 2.512 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 :: 121.865 Ave N Shift Values>> N :: 119.95(4.79) C71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 N 0.14 C 0.11 K 0.09 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 173.672 CA :: 53.513 CB :: 41.076 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.786 HA :: 5.069 HB2 :: 2.729 HB3 :: 2.353 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 :: 127.839 Ave N Shift Values>> N :: 119.95(4.79) V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.34 C Shift Assignments>> C :: 174.816 CA :: 61.653 CB :: 34.204 CG1 :: 21.412 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 :: 8.485 HA :: 4.255 HB :: 1.870 HG1 :: 0.808 HG2 :: 0.789 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 :: 117.742 Ave N Shift Values>> N :: 121.02(4.96) W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 H 0.15 W 0.15 E 0.15 C 0.14 Q 0.12 K 0.08 V 0.01 C Shift Assignments>> C :: 175.663 CA :: 56.631 CB :: 30.661 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 :: 8.700 HA :: 4.857 HB2 :: 3.298 HB3 :: 2.994 HD1 :: 7.165 HE1 :: 10.050 HE3 :: 7.696 HZ2 :: 7.329 HZ3 :: 7.115 HH2 :: 7.327 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 :: 126.523 NE1 :: 128.774 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.11 G 0.02 C Shift Assignments>> C :: 176.243 CA :: 55.486 CB :: 42.568 CG :: 27.273 CD1 :: 25.106 CD2 :: 23.722 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 :: 8.296 HA :: 4.359 HB2 :: 1.615 HB3 :: 1.561 HG :: 1.560 HD1 :: 0.910 HD2 :: 0.850 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 :: 124.477 Ave N Shift Values>> N :: 121.98(4.07) H75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.977 HA :: 4.428 HB2 :: 3.150 HB3 :: 3.031 HD1 :: 6.940 HD2 :: 6.940 HE1 :: 8.323 HE2 :: 8.323 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 :: 124.219 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 0 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 75 #Suspicious: 0 C Shift Results: #Consistent: 257 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 404 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 79 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: V4 C = 181.462(M), Expected = 175.69, Std = 2.0300, ChiSquare = 4.4642e-03 R21 NE = 130.716(M), Expected = 89.80, Std = 12.8300, ChiSquare = 1.4272e-03 R52 NE = 132.294(M), Expected = 89.80, Std = 12.8300, ChiSquare = 9.2605e-04