G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.524 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.84 HA3 :: 3.84 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 G 0.01 C Shift Assignments>> CA :: 56.563 CB :: 33.231 CG :: 24.574 CD :: 29.074 CE :: 42.163 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>> HA :: 4.328 HB2 :: 1.813 HB3 :: 1.742 HG2 :: 1.403 HG3 :: 1.403 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.991 HE3 :: 2.991 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) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> Q56 C Shift Assignments>> CA :: 54.404 CB :: 41.112 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 :: 8.488 HA :: 4.596 HB2 :: 2.556 HB3 :: 2.68 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 :: 122.576 Ave N Shift Values>> N :: 120.73(4.2) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> A34 C Shift Assignments>> CA :: 61.062 CB :: 38.75 CG1 :: 27.218 CG2 :: 17.561 CD1 :: 13 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 :: 8.116 HA :: 4.144 HB :: 1.84 HG2 :: 0.882 HG12 :: 1.168 HG13 :: 1.44 HD1 :: 0.854 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 :: 121.8 Ave N Shift Values>> N :: 121.6(4.72) Q5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.03 C Shift Assignments>> CA :: 55.661 CB :: 29.624 CG :: 33.834 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 :: 8.425 HA :: 4.339 HB2 :: 1.949 HB3 :: 2.029 HG2 :: 2.319 HG3 :: 2.319 HE21 :: 7.567 HE22 :: 6.846 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 :: 125.415 NE2 :: 133.301(M) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V6 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>> CA :: 62.31 CB :: 32.729 CG1 :: 21.114 CG2 :: 20.631 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 :: 8.164 HA :: 4.044 HB :: 1.961 HG1 :: 0.837 HG2 :: 0.882 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 :: 123.452 Ave N Shift Values>> N :: 121.02(4.96) I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 60.876 CB :: 38.465 CG1 :: 27.3 CG2 :: 17.573 CD1 :: 12.512 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 :: 8.226 HA :: 4.072 HB :: 1.717 HG2 :: 0.685 HG12 :: 1.082 HG13 :: 1.403 HD1 :: 0.761 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 :: 126.891 Ave N Shift Values>> N :: 121.6(4.72) V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> CA :: 61.627 CB :: 33.23 CG1 :: 21.173 CG2 :: 20.396 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 :: 7.983 HA :: 4.118 HB :: 1.973 HG1 :: 0.891 HG2 :: 0.863 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 :: 125.938 Ave N Shift Values>> N :: 121.02(4.96) N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.24 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> CA :: 53.267 CB :: 39.295 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 :: 8.349 HA :: 5.019 HB2 :: 2.673 HB3 :: 2.673 HD21 :: 7.478 HD22 :: 6.742 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 :: 122.741 ND2 :: 111.14 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.33 C Shift Assignments>> CA :: 59.485 CB :: 35.708 CG1 :: 20.516 CG2 :: 20.773 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 :: 9.914 HA :: 4.609 HB :: 1.974 HG1 :: 1.065 HG2 :: 0.979 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 :: 125.32 Ave N Shift Values>> N :: 121.02(4.96) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.22 CB :: 30.482 CG :: 27.438 CD :: 51.563 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 :: 4.531 HB2 :: 2.001 HB3 :: 2.072 HG2 :: 2.043 HG3 :: 2.043 HD2 :: 3.735 HD3 :: 3.828 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) P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 62.387 CB :: 33.352 CG :: 27.987 CD :: 49.923 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 :: 5.005 HB2 :: 1.801 HB3 :: 1.407 HG2 :: 1.44 HG3 :: 1.805 HD2 :: 2.908 HD3 :: 3.786 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) S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 56.724 CB :: 65.495 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.117 HA :: 4.662 HB2 :: 3.739 HB3 :: 3.739 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 :: 115.97 Ave N Shift Values>> N :: 116.3(3.95) V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.15 I 0.08 C Shift Assignments>> CA :: 59.722 CB :: 35.498 CG1 :: 20.37 CG2 :: 24.421 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 :: 8.695 HA :: 5.109 HB :: 1.576 HG1 :: 0.627 HG2 :: 0.712 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 :: 121.673 Ave N Shift Values>> N :: 121.02(4.96) R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.25 K 0.24 G 0.08 C Shift Assignments>> CA :: 54.078 CB :: 33.262 CG :: 26.02 CD :: 43.195 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 :: 8.193 HA :: 4.57 HB2 :: 1.683 HB3 :: 1.796 HG2 :: 1.55 HG3 :: 1.663 HD2 :: 3.2 HD3 :: 3.2 HE :: 7.241 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 :: 124.899 NE :: 85.05 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> CA :: 52.026 CB :: 19.137 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.977 HA :: 4.812 HB :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.004 Ave N Shift Values>> N :: 123.23(3.7) R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.08 G 0.07 C Shift Assignments>> CA :: 60.078 CB :: 29.863 CG :: 27.798 CD :: 43.138 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 :: 8.858 HA :: 4.058 HB2 :: 1.727 HB3 :: 1.841 HG2 :: 1.481 HG3 :: 1.481 HD2 :: 3.014 HD3 :: 3.22 HE :: 8.075 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 :: 126.247 NE :: 85.048 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.28 Q 0.2 E 0.14 K 0.06 C Shift Assignments>> CA :: 55.823 CB :: 31.477 CG :: 34.114 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 :: 7.437 HA :: 4.569 HB2 :: 2.077 HB3 :: 2.148 HG2 :: 2.417 HG3 :: 2.466 HE21 :: 7.666 HE22 :: 6.917 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 :: 115.329 NE2 :: 112.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.066 CB :: 63.868 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.825 HA :: 4.485 HB2 :: 4.043 HB3 :: 4.165 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 :: 118.843 Ave N Shift Values>> N :: 116.3(3.95) T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.316 CB :: 70.828 CG2 :: 21.724 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 :: 7.877 HA :: 5.253 HB :: 4.154 HG2 :: 1.265 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 :: 117.299 Ave N Shift Values>> N :: 115.7(5.05) M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 A 0.32 M 0.27 I 0.01 C Shift Assignments>> CA :: 53.993 CB :: 36.84 CG :: 32.155 CE :: 16.771 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 :: 8.781 HA :: 4.843 HB2 :: 1.641 HB3 :: 1.979 HG2 :: 2.321 HG3 :: 2.321 HE :: 2.12 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 :: 124.356 Ave N Shift Values>> N :: 120.1(3.88) N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 C 0.12 R 0.09 N 0.07 K 0.07 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 52.005 CB :: 42.406 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 :: 8.598 HA :: 5.92 HB2 :: 2.607 HB3 :: 2.607 HD21 :: 7.384 HD22 :: 6.756 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 :: 120.479 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.21 A 0.16 M 0.08 K 0.06 P 0.01 R 0.01 C Shift Assignments>> CA :: 50.95 CB :: 23.254 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.642 HA :: 4.687 HB :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.674 Ave N Shift Values>> N :: 123.23(3.7) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.011 CB :: 70.222 CG2 :: 22.057 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 :: 8.472 HA :: 4.897 HB :: 3.854 HG2 :: 1.281 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 :: 117.614 Ave N Shift Values>> N :: 115.7(5.05) A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.01 C Shift Assignments>> CA :: 52.574 CB :: 19.873 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.667 HA :: 3.981 HB :: 1.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.363 Ave N Shift Values>> N :: 123.23(3.7) N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 N 0.19 Y 0.15 E 0.14 F 0.09 D 0.05 M 0.04 I 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 55.155 CB :: 37.434 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 :: 8.063 HA :: 4.565 HB2 :: 2.954 HB3 :: 3.032 HD21 :: 7.724 HD22 :: 6.975 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 :: 112.974 ND2 :: 113.48 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.25 G 0.09 R 0.07 A 0.03 C Shift Assignments>> CA :: 54.928 CB :: 43.321 CG :: 26.586 CD1 :: 22.979 CD2 :: 25.503 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 :: 8.402 HA :: 4.508 HB2 :: 1.409 HB3 :: 1.694 HG :: 1.591 HD1 :: 0.876 HD2 :: 0.895 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 :: 120.32 Ave N Shift Values>> N :: 121.98(4.07) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.436 CB :: 62.269 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.839 HA :: 3.976 HB2 :: 4.057 HB3 :: 4.057 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 :: 115.772 Ave N Shift Values>> N :: 116.3(3.95) Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.23 K 0.17 E 0.17 M 0.14 R 0.01 C Shift Assignments>> CA :: 56.2 CB :: 30.141 CG :: 34.264 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 :: 8.648 HA :: 4.366 HB2 :: 2.022 HB3 :: 2.087 HG2 :: 2.383 HG3 :: 2.383 HE21 :: 7.48 HE22 :: 6.947 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 :: 122.1 NE2 :: 112.287 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> CA :: 56.293 CB :: 65.945 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.182 HA :: 5.556 HB2 :: 3.638 HB3 :: 3.638 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 :: 115.336 Ave N Shift Values>> N :: 116.3(3.95) V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> CA :: 60.226 CB :: 35.445 CG1 :: 21.028 CG2 :: 21.457 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 :: 8.696 HA :: 4.466 HB :: 1.793 HG1 :: 0.756 HG2 :: 0.747 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 :: 120.124 Ave N Shift Values>> N :: 121.02(4.96) T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.584 CB :: 69.817 CG2 :: 21.282 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 :: 8.215 HA :: 4.848 HB :: 3.836 HG2 :: 0.882 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 :: 121.225 Ave N Shift Values>> N :: 115.7(5.05) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.31 C 0.29 K 0.03 G 0.03 C Shift Assignments>> CA :: 54.215 CB :: 42.56 CG :: 28.871 CD1 :: 24.986 CD2 :: 25.87 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 :: 9.435 HA :: 4.438 HB2 :: 1.208 HB3 :: 1.471 HG :: 1.439 HD1 :: 0.413 HD2 :: 0.198 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 :: 132.109 Ave N Shift Values>> N :: 121.98(4.07) A34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.48 C 0.2 K 0.1 A 0.08 M 0.06 P 0.02 R 0.01 HN Overlap>> I4 C Shift Assignments>> CA :: 51.347 CB :: 23.607 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.178 HA :: 5.877(S) HB :: 1.267 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.823 Ave N Shift Values>> N :: 123.23(3.7) C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.31 L 0.08 C Shift Assignments>> CA :: 54.141 CB :: 47.196 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.126 HA :: 4.94 HB2 :: 2.525 HB3 :: 2.911 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 :: 120.157 Ave N Shift Values>> N :: 119.95(4.79) D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.18 D 0.17 C 0.1 K 0.09 F 0.04 G 0.04 Y 0.02 N 0.02 C Shift Assignments>> CA :: 53.702 CB :: 42.903 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 :: 8.581 HA :: 4.977 HB2 :: 2.423 HB3 :: 2.594 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 :: 120.877 Ave N Shift Values>> N :: 120.73(4.2) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.26 P 0.11 A 0.1 K 0.06 M 0.05 R 0.01 C Shift Assignments>> CA :: 50.082 CB :: 23.677 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.134 HA :: 5.513 HB :: 1.182 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.167 Ave N Shift Values>> N :: 123.23(3.7) D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.22 C 0.11 R 0.1 D 0.07 F 0.01 C Shift Assignments>> CA :: 52.436 CB :: 44.2 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 :: 8.582 HA :: 4.958 HB2 :: 2.612 HB3 :: 2.612 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 :: 120.678 Ave N Shift Values>> N :: 120.73(4.2) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.497 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.97 HA2 :: 3.464 HA3 :: 3.913 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.228 Ave N Shift Values>> N :: 109.91(4.29) F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 L 0.21 K 0.17 C 0.11 F 0.09 Y 0.06 D 0.06 G 0.01 C Shift Assignments>> CA :: 56.918 CB :: 42.669 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 :: 8.325 HA :: 4.473 HB2 :: 2.987 HB3 :: 2.987 HD1 :: 7.35 HD2 :: 7.35 HE1 :: 6.93 HE2 :: 6.93 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 :: 119.795 Ave N Shift Values>> N :: 120.69(4.18) P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.47 C Shift Assignments>> CA :: 62.328 CB :: 34.309 CG :: 26.136 CD :: 49.277 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 :: 3.302 HB2 :: 1.751 HB3 :: 2.157 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 2.868 HD3 :: 3.692 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) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.35 K 0.13 Q 0.06 M 0.04 I 0.04 C Shift Assignments>> CA :: 55.676 CB :: 29.224 CG :: 36.153 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 :: 8.908 HA :: 4.156 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.493 HG3 :: 2.535 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 :: 124.207 Ave N Shift Values>> N :: 120.68(3.68) P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.529 CB :: 33.289 CG :: 27.281 CD :: 50.94 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 :: 4.548 HB2 :: 1.702 HB3 :: 1.702 HG2 :: 1.572 HG3 :: 1.76 HD2 :: 3.474 HD3 :: 3.635 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) T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.024 CB :: 70.468 CG2 :: 21.975 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 :: 8.748 HA :: 4.588 HB :: 4.194 HG2 :: 1.2 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 :: 114.419 Ave N Shift Values>> N :: 115.7(5.05) M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.31 A 0.26 C Shift Assignments>> CA :: 53.883 CB :: 34.726 CG :: 32.486 CE :: 16.805 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 :: 8.598 HA :: 5.739 HB2 :: 1.738 HB3 :: 1.93 HG2 :: 2.069 HG3 :: 2.233 HE :: 1.686 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 :: 123.863 Ave N Shift Values>> N :: 120.1(3.88) T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> CA :: 60.968 CB :: 72.134 CG2 :: 21.989 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 :: 8.583 HA :: 4.608 HB :: 4.191 HG2 :: 1.175 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 :: 118.219 Ave N Shift Values>> N :: 115.7(5.05) W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 C 0.19 M 0.18 K 0.17 E 0.05 W 0.04 R 0.04 H 0.04 V 0.02 C Shift Assignments>> CA :: 56.538 CB :: 33.717 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 :: 8.942 HA :: 6.007 HB2 :: 3.184 HB3 :: 2.955 HD1 :: 7.169 HE1 :: 10.795 HE3 :: 6.978 HZ2 :: 7.335 HZ3 :: 6.71 HH2 :: 6.67 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 :: 121.075 NE1 :: 130.521 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.34 A 0.02 C Shift Assignments>> CA :: 59.249 CB :: 72.576 CG2 :: 20.715 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 :: 9.408 HA :: 5.046 HB :: 3.615 HG2 :: 0.859 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 :: 111.421 Ave N Shift Values>> N :: 115.7(5.05) K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.32 R 0.25 M 0.03 G 0.02 C Shift Assignments>> CA :: 54.592 CB :: 35.075 CG :: 25.005 CD :: 29.778 CE :: 42.536 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 :: 9.086 HA :: 4.268 HB2 :: 1.385 HB3 :: 1.81 HG2 :: 1.251 HG3 :: 1.333 HD2 :: 1.633 HD3 :: 1.633 HE2 :: 2.946 HE3 :: 2.946 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 :: 122.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 D 0.18 F 0.18 C 0.17 L 0.1 N 0.09 K 0.03 I 0.02 C Shift Assignments>> CA :: 55.915 CB :: 39.792 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 :: 9.691 HA :: 4.438 HB2 :: 2.591 HB3 :: 3.004 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 :: 131.71 Ave N Shift Values>> N :: 120.73(4.2) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.04 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.67 HA2 :: 3.494 HA3 :: 4.281 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.315 Ave N Shift Values>> N :: 109.91(4.29) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.22 E 0.2 Q 0.1 K 0.07 C Shift Assignments>> CA :: 52.874 CB :: 30.628 CG :: 35.483 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 :: 7.973 HA :: 4.965 HB2 :: 2.126 HB3 :: 1.988 HG2 :: 2.24 HG3 :: 2.356 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 :: 122.569 Ave N Shift Values>> N :: 120.68(3.68) P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> CA :: 63.735 CB :: 32.425 CG :: 27.719 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 :: 4.547 HB2 :: 1.873 HB3 :: 2.364 HG2 :: 1.94 HG3 :: 2.154 HD2 :: 3.756 HD3 :: 3.962 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) I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> CA :: 61.227 CB :: 38.427 CG1 :: 27.198 CG2 :: 16.986 CD1 :: 13.749 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 :: 8.12 HA :: 4.088 HB :: 1.67 HG2 :: 0.237 HG12 :: 0.891 HG13 :: 1.485 HD1 :: 0.652 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 :: 124.39 Ave N Shift Values>> N :: 121.6(4.72) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 M 0.2 Q 0.07 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.258 CB :: 30.979 CG :: 35.833 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 :: 8.523 HA :: 4.487 HB2 :: 2.103 HB3 :: 1.945 HG2 :: 2.289 HG3 :: 2.289 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 :: 127.431 Ave N Shift Values>> N :: 120.68(3.68) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.23 E 0.13 M 0.06 R 0.05 I 0.01 HN Overlap>> D3 C Shift Assignments>> CA :: 57.04 CB :: 29.207 CG :: 33.884 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 :: 8.592 HA :: 4.282 HB2 :: 1.892 HB3 :: 2.016 HG2 :: 2.106 HG3 :: 2.309 HE21 :: 7.48 HE22 :: 6.953 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 :: 122.56 NE2 :: 112.6 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> CA :: 56.798 CB :: 30.493 CG :: 36.295 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 :: 8.546 HA :: 4.408 HB2 :: 2.1 HB3 :: 2.1 HG2 :: 2.338 HG3 :: 2.338 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 :: 122.193 Ave N Shift Values>> N :: 120.68(3.68) D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.16 L 0.15 Y 0.14 C 0.14 K 0.1 N 0.05 I 0.02 R 0.01 HN Overlap>> E90 C Shift Assignments>> CA :: 55.983 CB :: 40.556 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 :: 8.694 HA :: 4.555 HB2 :: 2.757 HB3 :: 2.843 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 :: 121.219 Ave N Shift Values>> N :: 120.73(4.2) N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.23 C 0.14 Y 0.06 F 0.06 L 0.05 C Shift Assignments>> CA :: 52.88 CB :: 39.287 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 :: 8.31 HA :: 4.97 HB2 :: 2.868 HB3 :: 3.056 HD21 :: 7.849 HD22 :: 7.007 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 :: 117.595 ND2 :: 113.74 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 I 0.15 K 0.07 M 0.02 Q 0.01 C Shift Assignments>> CA :: 57.77 CB :: 29.293 CG :: 36.841 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 :: 8.715 HA :: 4.517 HB2 :: 2.028 HB3 :: 2.139 HG2 :: 2.39 HG3 :: 2.436 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 :: 120.981 Ave N Shift Values>> N :: 120.68(3.68) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.13 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> CA :: 57.931 CB :: 29.282 CG :: 36.442 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 :: 8.354 HA :: 4.007 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 2.205 HG3 :: 2.205 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 :: 118.103 Ave N Shift Values>> N :: 120.68(3.68) K62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 K 0.3 A 0.02 C Shift Assignments>> CA :: 55.239 CB :: 34.492 CG :: 23.307 CD :: 27.086 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 :: 8.099 HA :: 4.251 HB2 :: 1.277 HB3 :: 1.355 HG2 :: -0.148(S) HG3 :: 0.885 HD2 :: 1.64 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 :: 120.141 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.18 K 0.17 R 0.12 C 0.1 F 0.07 Y 0.05 N 0.03 C Shift Assignments>> CA :: 54.87 CB :: 42.138 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 :: 7.91 HA :: 5.693 HB2 :: 2.46 HB3 :: 2.46 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.75 HE2 :: 6.75 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 :: 115.071 Ave N Shift Values>> N :: 120.79(4.69) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 HN Overlap>> S80 C Shift Assignments>> CA :: 57.411 CB :: 65.96 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.613 HA :: 4.752 HB2 :: 3.539 HB3 :: 3.715 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 :: 115.7 Ave N Shift Values>> N :: 116.3(3.95) F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.23 K 0.14 C 0.11 F 0.08 D 0.07 Y 0.05 G 0.02 HN Overlap>> Q96 C Shift Assignments>> CA :: 56.628 CB :: 42.835 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 :: 8.781 HA :: 5.449 HB2 :: 3.172 HB3 :: 2.967 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 6.99 HE2 :: 6.99 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 :: 123.973 Ave N Shift Values>> N :: 120.69(4.18) N66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 7.732 HD22 :: 6.7 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>> ND2 :: 111.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.31 D 0.31 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> CA :: 52.822 CB :: 40.117 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>> HA :: 4.658 HB2 :: 2.419 HB3 :: 3.07 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) G69 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>> CA :: 46.474 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.714 HA2 :: 3.723 HA3 :: 4.429 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.104 Ave N Shift Values>> N :: 109.91(4.29) S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.099 CB :: 63.985 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.429 HA :: 4.558 HB2 :: 3.979 HB3 :: 3.979 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 :: 116.375 Ave N Shift Values>> N :: 116.3(3.95) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.24 E 0.23 C Shift Assignments>> CA :: 54.76 CB :: 32.517 CG :: 36.709 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 :: 7.977 HA :: 5.171 HB2 :: 1.622 HB3 :: 1.622 HG2 :: 2.086 HG3 :: 2.086 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 :: 118.319 Ave N Shift Values>> N :: 120.68(3.68) L72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.5 A 0.23 C 0.17 R 0.04 G 0.04 C Shift Assignments>> CA :: 52.775 CB :: 42.556 CG :: 26.627 CD1 :: 25.737 CD2 :: 21.848 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 :: 8.596 HA :: 4.137 HB2 :: -0.547(S) HB3 :: 0.211(S) HG :: 0.609 HD1 :: -0.17(S) HD2 :: -0.307(S) 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 :: 127.173 Ave N Shift Values>> N :: 121.98(4.07) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.51 CB :: 39.118 CG1 :: 27.935 CG2 :: 17.73 CD1 :: 14.124 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 :: 8.77 HA :: 4.523 HB :: 1.518 HG2 :: 0.568 HG12 :: 1 HG13 :: 1.441 HD1 :: 0.673 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 :: 127.763 Ave N Shift Values>> N :: 121.6(4.72) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.766 CB :: 38.402 CG1 :: 26.703 CG2 :: 17.639 CD1 :: 13.866 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 :: 8.655 HA :: 4.335 HB :: 1.485 HG2 :: 0.653 HG12 :: 0.701 HG13 :: 1.349 HD1 :: 0.394 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 :: 126.982 Ave N Shift Values>> N :: 121.6(4.72) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 G 0.01 C Shift Assignments>> CA :: 55.279 CB :: 33.987 CG :: 26.182 CD :: 29.041 CE :: 42.218 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 :: 8.621 HA :: 4.319 HB2 :: 1.618 HB3 :: 1.618 HG2 :: 1.153 HG3 :: 1.081 HD2 :: 1.46 HD3 :: 1.46 HE2 :: 2.97 HE3 :: 2.97 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 :: 125.72 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.35 R 0.22 M 0.04 C Shift Assignments>> CA :: 56.113 CB :: 30.511 CG :: 24.522 CD :: 29.77 CE :: 42.04 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 :: 8.473 HA :: 3.482 HB2 :: 1.735 HB3 :: 1.6 HG2 :: 1.272 HG3 :: 1.241 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.907 HE3 :: 2.907 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 :: 118.069 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 63.814 CB :: 31.566 CG1 :: 22.841 CG2 :: 23.483 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 :: 8.178 HA :: 3.901 HB :: 1.717 HG1 :: 0.674 HG2 :: 0.74 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 :: 119.38 Ave N Shift Values>> N :: 121.02(4.96) D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.19 R 0.15 C 0.12 G 0.08 K 0.05 N 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 52.642 CB :: 43.053 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 :: 9.738 HA :: 4.624 HB2 :: 2.662 HB3 :: 3.102 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 :: 129.516 Ave N Shift Values>> N :: 120.73(4.2) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.02 G 0.01 C Shift Assignments>> CA :: 58.766 CB :: 32.062 CG :: 24.42 CD :: 28.809 CE :: 42.173 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 :: 8.934 HA :: 3.808 HB2 :: 1.768 HB3 :: 1.93 HG2 :: 1.469 HG3 :: 1.54 HD2 :: 1.778 HD3 :: 1.778 HE2 :: 2.966 HE3 :: 2.966 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 :: 120.146 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> S64 C Shift Assignments>> CA :: 60.888 CB :: 62.857 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.639 HA :: 4.338 HB2 :: 4.078 HB3 :: 3.916 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 :: 115.7 Ave N Shift Values>> N :: 116.3(3.95) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.2 D 0.15 F 0.11 C 0.11 Y 0.09 R 0.07 N 0.02 I 0.01 C Shift Assignments>> CA :: 55.943 CB :: 41.544 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 :: 8.183 HA :: 4.57 HB2 :: 2.551 HB3 :: 2.847 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 :: 119.89 Ave N Shift Values>> N :: 120.73(4.2) E82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.11 I 0.09 Q 0.06 M 0.05 C Shift Assignments>> CA :: 57.926 CB :: 29.622 CG :: 36.019 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 :: 7.631 HA :: 4.307 HB2 :: 2.039 HB3 :: 2.333 HG2 :: 2.194 HG3 :: 3.118(S) 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 :: 124.646 Ave N Shift Values>> N :: 120.68(3.68) A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.26 M 0.15 C 0.11 K 0.01 C Shift Assignments>> CA :: 51.861 CB :: 22.035 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.164 HA :: 4.625 HB :: 1.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.58 Ave N Shift Values>> N :: 123.23(3.7) E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.31 M 0.1 I 0.04 C Shift Assignments>> CA :: 55.78 CB :: 31.266 CG :: 37.802 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 :: 8.287 HA :: 4.67 HB2 :: 1.97 HB3 :: 2.15 HG2 :: 1.846 HG3 :: 1.846 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 :: 119.442 Ave N Shift Values>> N :: 120.68(3.68) Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 C 0.15 L 0.13 D 0.12 K 0.12 I 0.03 N 0.02 R 0.01 C Shift Assignments>> CA :: 56.907 CB :: 40.627 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 :: 9.73 HA :: 5.595 HB2 :: 3.016 HB3 :: 3.132 HD1 :: 6.97 HD2 :: 6.97 HE1 :: 6.83 HE2 :: 6.83 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 :: 131.523 Ave N Shift Values>> N :: 120.79(4.69) I86 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>> CA :: 59.437 CB :: 40.352 CG1 :: 28.4 CG2 :: 17.857 CD1 :: 13.661 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 :: 8.627 HA :: 5.133 HB :: 1.721 HG2 :: 0.612 HG12 :: 1.037 HG13 :: 1.338 HD1 :: 0.668 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 :: 123.404 Ave N Shift Values>> N :: 121.6(4.72) C87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.26 D 0.23 C 0.13 R 0.12 G 0.07 K 0.06 N 0.05 F 0.02 Y 0.02 C Shift Assignments>> CA :: 51.979 CB :: 42.769 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.44 HA :: 4.33 HB2 :: 2.33 HB3 :: 0.524(S) 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 :: 123.584 Ave N Shift Values>> N :: 119.95(4.79) I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> CA :: 61.099 CB :: 39.359 CG1 :: 28.364 CG2 :: 18.324 CD1 :: 14.954 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 :: 9.005 HA :: 4.033 HB :: 1.593 HG2 :: 0.627 HG12 :: 0.709 HG13 :: 1.217 HD1 :: 0.622 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 :: 124.538 Ave N Shift Values>> N :: 121.6(4.72) A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 C 0.12 L 0.09 M 0.08 G 0.01 C Shift Assignments>> CA :: 49.714 CB :: 21.68 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.028 HA :: 5.251 HB :: 0.979 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.385 Ave N Shift Values>> N :: 123.23(3.7) E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.14 E 0.07 HN Overlap>> D58 C Shift Assignments>> CA :: 54.868 CB :: 34.419 CG :: 36.451 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 :: 8.65 HA :: 5.206 HB2 :: 1.854 HB3 :: 1.854 HG2 :: 2.076 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 :: 121.308 Ave N Shift Values>> N :: 120.68(3.68) N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 C 0.12 L 0.12 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> CA :: 51.876 CB :: 40.793 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 :: 9.019 HA :: 4.667 HB2 :: 2.569 HB3 :: 2.958 HD21 :: 8.105 HD22 :: 6.916 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 :: 121.364 ND2 :: 108.598 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.18 M 0.04 C Shift Assignments>> CA :: 58.101 CB :: 32.263 CG :: 23.827 CD :: 29.021 CE :: 41.745 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 :: 8.22 HA :: 4.085 HB2 :: 1.774 HB3 :: 1.697 HG2 :: 1.337 HG3 :: 1.337 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.907 HE3 :: 2.907 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 :: 115.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.03 L 0.01 C Shift Assignments>> CA :: 51.492 CB :: 19.868 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.883 HA :: 4.533 HB :: 1.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.106 Ave N Shift Values>> N :: 123.23(3.7) G94 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 R 0.01 C Shift Assignments>> CA :: 45.989 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.816 HA2 :: 3.96 HA3 :: 4.406 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.841 Ave N Shift Values>> N :: 109.91(4.29) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.4 E 0.08 Q 0.07 C Shift Assignments>> CA :: 54.214 CB :: 33.086 CG :: 34.682 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 :: 8.188 HA :: 5.483 HB2 :: 1.886 HB3 :: 1.91 HG2 :: 2.105 HG3 :: 2.105 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 :: 117.73 Ave N Shift Values>> N :: 120.68(3.68) Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.17 E 0.11 HN Overlap>> F65 C Shift Assignments>> CA :: 56.786 CB :: 34.165 CG :: 36.085 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 :: 8.868 HA :: 4.338 HB2 :: 1.71 HB3 :: 1.91 HG2 :: 2.532 HG3 :: 2.686 HE21 :: 7.719 HE22 :: 6.891 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 :: 123.997 NE2 :: 112.716 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.07 R 0.03 D 0.02 C Shift Assignments>> CA :: 51.906 CB :: 44.879 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 :: 8.07 HA :: 5.615 HB2 :: 2.344 HB3 :: 2.509 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 :: 121.312 Ave N Shift Values>> N :: 120.73(4.2) A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.29 C 0.14 M 0.13 K 0.03 C Shift Assignments>> CA :: 51.763 CB :: 22.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.28 HA :: 4.715 HB :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.79 Ave N Shift Values>> N :: 123.23(3.7) T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.058 CB :: 70.965 CG2 :: 21.866 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 :: 7.744 HA :: 5.032 HB :: 3.83 HG2 :: 0.95 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 :: 112.915 Ave N Shift Values>> N :: 115.7(5.05) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.28 G 0.15 C Shift Assignments>> CA :: 60.666 CB :: 43.184 CG1 :: 28.667 CG2 :: 17.815 CD1 :: 15.832 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 :: 9.84 HA :: 4.739 HB :: 1.838 HG2 :: 0.898 HG12 :: 1.388 HG13 :: 1.571 HD1 :: 1.233 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 :: 127.389 Ave N Shift Values>> N :: 121.6(4.72) H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> CA :: 56.183 CB :: 30.678 CD2 :: 120.10 CE1 :: 136.2 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 :: 8.709 HA :: 5.195 HB2 :: 3.268 HB3 :: 3.268 HD2 :: 7.29 HE1 :: 8.58 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 :: 126.03 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.24 C 0.22 R 0.1 A 0.01 C Shift Assignments>> CA :: 53.603 CB :: 44.693 CG :: 28.236 CD1 :: 24.064 CD2 :: 26.055 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 :: 8.207 HA :: 5.126 HB2 :: 1.144 HB3 :: 2.423 HG :: 1.286 HD1 :: 0.695 HD2 :: 0.684 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 :: 127.713 Ave N Shift Values>> N :: 121.98(4.07) K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.36 R 0.13 M 0.01 G 0.01 C Shift Assignments>> CA :: 54.609 CB :: 33.836 CG :: 24.73 CD :: 28.675 CE :: 42.225 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 :: 8.858 HA :: 4.516 HB2 :: 1.69 HB3 :: 1.884 HG2 :: 1.211 HG3 :: 1.312 HD2 :: 1.579 HD3 :: 1.618 HE2 :: 2.844 HE3 :: 2.844 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 :: 129.472 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> CA :: 60.437 CB :: 34.311 CG1 :: 20.359 CG2 :: 21.823 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 :: 9.003 HA :: 4.686 HB :: 1.823 HG1 :: 0.629 HG2 :: 0.54 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 :: 123.376 Ave N Shift Values>> N :: 121.02(4.96) F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.19 C 0.15 D 0.12 L 0.12 K 0.09 I 0.04 N 0.02 R 0.01 C Shift Assignments>> CA :: 56.938 CB :: 40.424 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 :: 8.905 HA :: 4.722 HB2 :: 3.243 HB3 :: 2.988 HD1 :: 7.294 HD2 :: 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 :: 127.439 Ave N Shift Values>> N :: 120.69(4.18) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.18 C 0.04 L 0.03 C Shift Assignments>> CA :: 52.376 CB :: 20.25 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.74 HA :: 4.418 HB :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.821 Ave N Shift Values>> N :: 123.23(3.7) K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.18 M 0.02 G 0.01 C Shift Assignments>> CA :: 57.817 CB :: 33.642 CG :: 24.637 CD :: 29.419 CE :: 42.45 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 :: 7.881 HA :: 4.06 HB2 :: 1.815 HB3 :: 1.747 HG2 :: 1.407 HG3 :: 1.407 HD2 :: 1.69 HD3 :: 1.69 HE2 :: 3 HE3 :: 3 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 :: 124.998 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 0 C Shift Results: #Consistent: 324 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 599 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: Q5 NE2 = 133.301(M), Expected = 111.81, Std = 2.2000, ChiSquare = 1.5350e-22 A34 HA = 5.877(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.1812e-04 K62 HG2 = -0.148(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.5203e-08 L72 HB2 = -0.547(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.5241e-10 L72 HB3 = 0.211(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.6001e-04 L72 HD1 = -0.17(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9865e-04 L72 HD2 = -0.307(S), Expected = 0.76, Std = 0.2800, ChiSquare = 1.3857e-04 E82 HG3 = 3.118(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.1927e-04 C87 HB3 = 0.524(S), Expected = 2.98, Std = 0.4500, ChiSquare = 4.8213e-08