Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 60.897 CB :: 70.227 CG2 :: 21.687 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 :: 7.826 HA :: 4.336 HB :: 3.846 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 113.446 Ave N Shift Values>> N :: 115.7(5.05) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.18 K 0.18 R 0.11 C 0.1 F 0.07 Y 0.06 N 0.03 C Shift Assignments>> CA :: 55.067 CB :: 41.967 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 :: 8.336 HA :: 4.216 HB2 :: 2.576 HB3 :: 2.766 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 :: 122.116 Ave N Shift Values>> N :: 120.73(4.2) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.27 M 0.27 Q 0.03 K 0.01 C Shift Assignments>> CA :: 55.387 CB :: 36.077 CG :: 32.101 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 :: 8.216 HA :: 5.226 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.536 HG3 :: 2.536 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 :: 119.536 Ave N Shift Values>> N :: 120.1(3.88) 1.W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.12 C 0.11 K 0.11 M 0.05 I 0.01 C Shift Assignments>> CA :: 56.377 CB :: 29.757 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 :: 8.696 HA :: 5.356 HB2 :: 3.106 HB3 :: 3.106 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 :: 122.006 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.I5 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.1 A 0.04 HN Overlap>> 1.G170 1.G170 C Shift Assignments>> CA :: 58.057 CB :: 36.867 CG2 :: 21.877 CD1 :: 20.117(S) 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 :: 8.056 HA :: 5.566 HB :: 2.026 HG12 :: 1.136 HG13 :: 1.136 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 HD11 :: 0.026 HD12 :: 0.026 HD13 :: 0.026 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 :: 109.586 Ave N Shift Values>> N :: 121.6(4.72) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.21 E 0.1 HN Overlap>> 1.E238 1.E238 C Shift Assignments>> CA :: 54.237 CB :: 33.767 CG :: 36.427 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 :: 8.486 HA :: 4.766 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.106 HG3 :: 2.276 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 :: 120.116 Ave N Shift Values>> N :: 120.68(3.68) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.24 K 0.2 R 0.11 E 0.06 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.137 CB :: 33.817 CG :: 27.257 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 :: 9.236 HA :: 4.736 HB2 :: 1.606 HB3 :: 1.676 HG2 :: 1.586 HG3 :: 1.636 HD2 :: 2.716 HD3 :: 2.716 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 :: 130.106 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> CA :: 60.387 CB :: 71.937 CG2 :: 20.907 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 :: 9.056 HA :: 4.736 HB :: 3.656 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 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 :: 119.646 Ave N Shift Values>> N :: 115.7(5.05) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> CA :: 52.247 CB :: 19.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.466 HA :: 4.516 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.546 Ave N Shift Values>> N :: 123.23(3.7) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 R 0.13 K 0.11 C 0.1 N 0.04 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 53.437 CB :: 42.447 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 :: 8.346 HA :: 4.686 HB2 :: 2.326 HB3 :: 2.576 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 :: 119.606 Ave N Shift Values>> N :: 120.73(4.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.16 C Shift Assignments>> CA :: 62.007 CB :: 37.877 CG2 :: 22.217 CD1 :: 19.667 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 :: 8.756 HA :: 4.716 HB :: 1.766 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 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 :: 120.166 Ave N Shift Values>> N :: 121.6(4.72) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> CA :: 59.927 CB :: 71.517 CG2 :: 22.147 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 :: 6.806 HA :: 4.596 HB :: 3.956 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 118.686 Ave N Shift Values>> N :: 115.7(5.05) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 C 0.13 W 0.12 E 0.12 M 0.1 Q 0.1 K 0.08 V 0.01 C Shift Assignments>> CA :: 56.157 CB :: 30.827 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 :: 8.066 HA :: 4.146 HB2 :: 2.816 HB3 :: 2.816 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.33 E 0.17 Q 0.1 K 0.02 C Shift Assignments>> CA :: 54.447 CB :: 31.897 CG :: 35.027 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 :: 8.816 HA :: 4.486 HB2 :: 1.716 HB3 :: 1.796 HG2 :: 1.926 HG3 :: 1.996 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 :: 129.246 Ave N Shift Values>> N :: 120.68(3.68) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> CA :: 60.857 CB :: 63.317 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.876 HA :: 4.176 HB2 :: 3.866 HB3 :: 3.866 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 :: 121.076 Ave N Shift Values>> N :: 116.3(3.95) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.28 C 0.13 L 0.09 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> CA :: 53.437 CB :: 39.947 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 :: 8.376 HA :: 4.556 HB2 :: 2.576 HB3 :: 2.576 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 :: 119.496 Ave N Shift Values>> N :: 120.73(4.2) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.18 C 0.03 L 0.01 C Shift Assignments>> CA :: 52.397 CB :: 19.907 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.836 HA :: 3.946 HB1 :: 0.816 HB2 :: 0.816 HB3 :: 0.816 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.086 Ave N Shift Values>> N :: 123.23(3.7) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.08 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> CA :: 56.557 CB :: 30.067 CG :: 36.397 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 :: 8.146 HA :: 3.976 HB2 :: 1.756 HB3 :: 1.896 HG2 :: 2.056 HG3 :: 2.196 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 :: 122.236 Ave N Shift Values>> N :: 120.68(3.68) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.07 I 0.06 C Shift Assignments>> CA :: 60.087 CB :: 39.037 CG1 :: 28.317 CG2 :: 21.157 CD1 :: 17.917 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 :: 8.176 HA :: 4.816 HB :: 1.546 HG12 :: 1.486 HG13 :: 1.486 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 124.806 Ave N Shift Values>> N :: 121.6(4.72) 1.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 :: 60.537 CB :: 70.227 CG2 :: 20.587 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 :: 8.776 HA :: 4.806 HB :: 3.866 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 122.486 Ave N Shift Values>> N :: 115.7(5.05) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.597 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.216 HA2 :: 3.886 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.166 Ave N Shift Values>> N :: 109.91(4.29) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.607 CB :: 64.867 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.766 HA :: 4.346 HB2 :: 3.696 HB3 :: 3.696 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 :: 113.546 Ave N Shift Values>> N :: 116.3(3.95) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.687 CB :: 62.967 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.456 HA :: 4.546 HB2 :: 3.556 HB3 :: 3.556 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.536 Ave N Shift Values>> N :: 116.3(3.95) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.32 E 0.18 Q 0.03 C Shift Assignments>> CA :: 55.247 CB :: 32.897 CG :: 35.647 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 :: 7.866 HA :: 4.376 HB2 :: 1.816 HB3 :: 1.816 HG2 :: 1.816 HG3 :: 2.016 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 :: 124.826 Ave N Shift Values>> N :: 120.68(3.68) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.16 G 0.08 C Shift Assignments>> CA :: 55.247 CB :: 31.827 CG :: 27.777 CD :: 43.497 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 :: 8.456 HA :: 5.286 HB2 :: 1.496 HB3 :: 1.616 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 3.046 HD3 :: 3.046 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 :: 121.426 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.43 I 0.01 HN Overlap>> 1.V162 1.V162 C Shift Assignments>> CA :: 60.757 CB :: 35.967 CG1 :: 21.757 CG2 :: 20.737 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 :: 8.536 HA :: 4.316 HB :: 1.806 HG11 :: 0.856 HG12 :: 0.856 HG13 :: 0.856 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.196 Ave N Shift Values>> N :: 121.02(4.96) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 K 0.14 C 0.1 N 0.07 F 0.07 Y 0.06 R 0.05 C Shift Assignments>> CA :: 54.207 CB :: 41.517 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 :: 8.386 HA :: 5.276 HB2 :: 2.446 HB3 :: 2.526 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 :: 127.796 Ave N Shift Values>> N :: 120.73(4.2) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.13 I 0.05 A 0.02 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> CA :: 58.747 CB :: 36.177 CG1 :: 22.817 CG2 :: 19.667 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 :: 8.126 HA :: 4.286 HB :: 1.566 HG11 :: 0.696 HG12 :: 0.696 HG13 :: 0.696 HG21 :: -0.054 HG22 :: -0.054 HG23 :: -0.054 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 :: 116.876 Ave N Shift Values>> N :: 121.02(4.96) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.28 K 0.15 G 0.1 C Shift Assignments>> CA :: 54.327 CB :: 33.537 CG :: 26.937 CD :: 43.317 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 :: 8.496 HA :: 4.286 HB2 :: 1.506 HB3 :: 1.506 HG2 :: 1.176 HG3 :: 1.446 HD2 :: 2.636 HD3 :: 2.636 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 :: 115.316 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.32 C 0.27 R 0.19 G 0.17 L 0.03 C Shift Assignments>> CA :: 54.137 CB :: 43.857 CG :: 29.247 CD1 :: 20.677 CD2 :: 24.957 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 :: 8.916 HA :: 4.276 HB2 :: 0.846 HB3 :: 1.516 HG :: 1.146 HD11 :: -0.244(S) HD12 :: -0.244(S) HD13 :: -0.244(S) HD21 :: 0.316 HD22 :: 0.316 HD23 :: 0.316 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.486 Ave N Shift Values>> N :: 121.98(4.07) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 C 0.11 K 0.1 R 0.05 F 0.04 Y 0.03 HN Overlap>> 1.Q223 1.Q223 C Shift Assignments>> CA :: 52.827 CB :: 41.687 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 :: 8.476 HA :: 4.526 HB2 :: 2.506 HB3 :: 3.186 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 :: 127.406 Ave N Shift Values>> N :: 120.73(4.2) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.15 D 0.15 L 0.14 C 0.14 K 0.13 N 0.03 I 0.02 R 0.02 C Shift Assignments>> CA :: 56.517 CB :: 40.717 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 :: 8.016 HA :: 4.116 HB2 :: 2.356 HB3 :: 2.516 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 :: 115.366 Ave N Shift Values>> N :: 120.73(4.2) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.13 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> CA :: 53.677 CB :: 41.917 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 :: 8.026 HA :: 4.426 HB2 :: 2.486 HB3 :: 2.626 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.536 Ave N Shift Values>> N :: 120.73(4.2) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> CA :: 46.757 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.786 HA2 :: 4.006 HA3 :: 4.166 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.516 Ave N Shift Values>> N :: 109.91(4.29) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.25 C 0.13 L 0.04 Y 0.04 F 0.04 C Shift Assignments>> CA :: 51.577 CB :: 39.567 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 :: 8.006 HA :: 4.886 HB2 :: 2.336 HB3 :: 2.906 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.686 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 F 0.17 R 0.17 C 0.15 Y 0.12 L 0.1 I 0.04 D 0.02 G 0.01 C Shift Assignments>> CA :: 59.057 CB :: 42.247 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.546 HA :: 4.876 HB2 :: 2.896 HB3 :: 2.896 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 :: 123.726 Ave N Shift Values>> N :: 120.69(4.18) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 M 0.18 H 0.15 R 0.12 W 0.09 K 0.09 Q 0.07 E 0.05 C Shift Assignments>> CA :: 53.257 CB :: 31.367 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 :: 8.886 HA :: 4.566 HB2 :: 1.526 HB3 :: 1.966 HG2 :: 2.196 HG3 :: 2.486 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 :: 117.836 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.1 G 0.01 C Shift Assignments>> CA :: 55.847 CB :: 42.277 CG :: 27.057 CD1 :: 24.137 CD2 :: 25.477 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 :: 8.696 HA :: 4.136 HB2 :: 1.496 HB3 :: 1.496 HG :: 1.416 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 123.086 Ave N Shift Values>> N :: 121.98(4.07) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.17 Q 0.13 H 0.08 R 0.08 W 0.06 E 0.04 V 0.01 C Shift Assignments>> CA :: 55.087 CB :: 32.817 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.996 HA :: 4.266 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 2.136 HG3 :: 2.276 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 :: 122.526 Ave N Shift Values>> N :: 120.1(3.88) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.18 C 0.16 Y 0.09 F 0.07 L 0.03 E 0.01 HN Overlap>> 1.L105 1.L105 C Shift Assignments>> CA :: 53.457 CB :: 38.727 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 :: 8.156 HA :: 4.686 HB2 :: 2.696 HB3 :: 2.696 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.736 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.22 K 0.14 C 0.1 N 0.07 F 0.06 R 0.06 Y 0.05 C Shift Assignments>> CA :: 53.947 CB :: 41.677 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 :: 8.316 HA :: 4.236 HB2 :: 2.456 HB3 :: 2.566 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 :: 121.636 Ave N Shift Values>> N :: 120.73(4.2) 1.P42 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> CA :: 44.987 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.406 HA2 :: 3.646 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.626 Ave N Shift Values>> N :: 109.91(4.29) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 HN Overlap>> 1.I218 1.I218 C Shift Assignments>> CA :: 50.477 CB :: 18.317 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.586 HA :: 4.396 HB1 :: 1.166 HB2 :: 1.166 HB3 :: 1.166 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.636 Ave N Shift Values>> N :: 123.23(3.7) 1.P45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 C 0.13 W 0.12 E 0.12 M 0.1 Q 0.1 K 0.08 V 0.01 C Shift Assignments>> CA :: 56.277 CB :: 30.857 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 :: 8.356 HA :: 4.686 HB2 :: 3.046 HB3 :: 3.046 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 :: 121.916 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> CA :: 52.287 CB :: 19.367 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.016 HA :: 4.146 HB1 :: 1.136 HB2 :: 1.136 HB3 :: 1.136 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.648 Ave N Shift Values>> N :: 123.23(3.7) 1.G48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G57 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.19 K 0.18 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> CA :: 55.287 CB :: 41.527 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 :: 7.406 HA :: 4.316 HB2 :: 2.536 HB3 :: 2.486 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 :: 119.706 Ave N Shift Values>> N :: 120.73(4.2) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 C Shift Assignments>> CA :: 59.437 CB :: 71.527 CG2 :: 21.967 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 :: 8.336 HA :: 4.326 HB :: 3.936 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 114.046 Ave N Shift Values>> N :: 115.7(5.05) 1.T75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 HN Overlap>> 1.V98 1.V98 C Shift Assignments>> CA :: 59.617 CB :: 70.427 CG2 :: 22.077 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 :: 8.796 HA :: 4.476 HB :: 3.726 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 126.036 Ave N Shift Values>> N :: 115.7(5.05) 1.G77 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 :: 45.047 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.926 HA2 :: 4.706 HA3 :: 4.576 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.436 Ave N Shift Values>> N :: 109.91(4.29) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.S15 1.S15 C Shift Assignments>> CA :: 62.477 CB :: 32.897 CG1 :: 21.347 CG2 :: 22.167 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 :: 8.906 HA :: 4.506 HB :: 1.776 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 121.016 Ave N Shift Values>> N :: 121.02(4.96) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.22 K 0.13 C 0.11 F 0.08 Y 0.06 D 0.05 G 0.02 HN Overlap>> 1.K173 1.K173 C Shift Assignments>> CA :: 56.987 CB :: 42.947 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 :: 9.046 HA :: 5.226 HB2 :: 2.686 HB3 :: 2.546 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 :: 126.196 Ave N Shift Values>> N :: 120.79(4.69) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.34 K 0.13 G 0.08 HN Overlap>> 1.E150 1.E150 C Shift Assignments>> CA :: 55.367 CB :: 31.067 CG :: 27.757 CD :: 43.467 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 :: 8.706 HA :: 4.856 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.336 HG3 :: 1.336 HD2 :: 3.146 HD3 :: 3.146 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 :: 116.576 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 V 0.02 I 0.02 C Shift Assignments>> CA :: 61.017 CB :: 38.947 CG1 :: 26.857 CG2 :: 22.187 CD1 :: 18.017 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 :: 8.816 HA :: 4.816 HB :: 1.686 HG12 :: 1.106 HG13 :: 1.106 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 HD11 :: 0.396 HD12 :: 0.396 HD13 :: 0.396 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.316 Ave N Shift Values>> N :: 121.6(4.72) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.28 C 0.16 C Shift Assignments>> CA :: 51.337 CB :: 32.067 CG :: 32.077 CE :: 18.517 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 :: 8.816 HA :: 5.246 HB2 :: 1.646 HB3 :: 1.646 HG2 :: 1.876 HG3 :: 2.096 HE1 :: 1.096 HE2 :: 1.096 HE3 :: 1.096 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 :: 126.426 Ave N Shift Values>> N :: 120.1(3.88) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 T 0.14 C Shift Assignments>> CA :: 59.187 CB :: 70.367 CG2 :: 24.887 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 :: 7.956 HA :: 4.546 HB :: 3.566 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 111.886 Ave N Shift Values>> N :: 115.7(5.05) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.19 R 0.1 G 0.1 C Shift Assignments>> CA :: 56.037 CB :: 32.867 CG :: 30.897 CD :: 43.337 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 :: 7.926 HA :: 5.296 HB2 :: 1.916 HB3 :: 1.916 HG2 :: 1.706 HG3 :: 1.706 HD2 :: 3.126 HD3 :: 3.126 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 :: 121.566 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.437 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.096 HA2 :: 4.726 HA3 :: 4.586 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.996 Ave N Shift Values>> N :: 109.91(4.29) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 R 0.19 V 0.07 L 0.04 G 0.02 C Shift Assignments>> CA :: 57.977 CB :: 42.367 CG :: 30.567 CD1 :: 23.737 CD2 :: 23.737 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 :: 4.676 HB2 :: 1.586 HB3 :: 1.486 HG :: 1.556 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 122.326 Ave N Shift Values>> N :: 121.98(4.07) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.26 R 0.05 C Shift Assignments>> CA :: 54.257 CB :: 41.847 CG :: 27.067 CD1 :: 25.267 CD2 :: 25.267 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 :: 8.356 HA :: 4.456 HB2 :: 1.576 HB3 :: 1.576 HG :: 1.476 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 116.396 Ave N Shift Values>> N :: 121.98(4.07) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.517 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.436 HA2 :: 4.436 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.576 Ave N Shift Values>> N :: 109.91(4.29) 1.S89 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 :: 57.967 CB :: 65.067 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.656 HA :: 5.306 HB2 :: 3.826 HB3 :: 3.826 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.436 Ave N Shift Values>> N :: 116.3(3.95) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.17 C 0.1 D 0.1 F 0.09 Y 0.07 C Shift Assignments>> CA :: 56.407 CB :: 42.267 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 :: 8.746 HA :: 4.716 HB2 :: 2.856 HB3 :: 2.856 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 :: 119.256 Ave N Shift Values>> N :: 120.79(4.69) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 M 0.19 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.517 CB :: 30.997 CG :: 35.917 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 :: 8.566 HA :: 4.686 HB2 :: 1.666 HB3 :: 1.906 HG2 :: 2.166 HG3 :: 2.096 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 :: 121.186 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.17 C 0.04 L 0.04 C Shift Assignments>> CA :: 52.217 CB :: 20.497 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 4.356 HB1 :: 1.026 HB2 :: 1.026 HB3 :: 1.026 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.286 Ave N Shift Values>> N :: 123.23(3.7) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> CA :: 46.287 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.716 HA2 :: 3.716 HA3 :: 3.586 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.656 Ave N Shift Values>> N :: 109.91(4.29) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.29 C 0.16 M 0.1 K 0.02 C Shift Assignments>> CA :: 50.807 CB :: 22.477 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.116 HA :: 5.166 HB1 :: 1.306 HB2 :: 1.306 HB3 :: 1.306 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.486 Ave N Shift Values>> N :: 123.23(3.7) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> CA :: 46.937 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.506 HA2 :: 3.756 HA3 :: 3.756 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.546 Ave N Shift Values>> N :: 109.91(4.29) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.19 C Shift Assignments>> CA :: 58.847 CB :: 36.577 CG1 :: 22.067 CG2 :: 21.187 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 :: 8.416 HA :: 5.456 HB :: 1.776 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 113.746 Ave N Shift Values>> N :: 121.02(4.96) 1.M97 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> A 0.4 M 0.32 C 0.26 C Shift Assignments>> CA :: 53.357 CB :: 31.317 CG :: 31.367 CE :: 20.517 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 :: 9.776 HA :: 5.686 HB2 :: 1.526 HB3 :: 1.526 HG2 :: 1.946 HG3 :: 1.946 HE1 :: 1.066 HE2 :: 1.066 HE3 :: 1.066 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 :: 135.656(A) Ave N Shift Values>> N :: 120.1(3.88) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.T76 1.T76 C Shift Assignments>> CA :: 62.237 CB :: 32.757 CG1 :: 22.907 CG2 :: 22.187 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 :: 8.886 HA :: 4.276 HB :: 1.706 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 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 :: 126.096 Ave N Shift Values>> N :: 121.02(4.96) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.24 F 0.17 E 0.13 I 0.09 N 0.03 D 0.02 M 0.01 L 0.01 C Shift Assignments>> CA :: 57.497 CG :: 37.927 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 :: 9.466 HA :: 3.666 HB2 :: 2.126 HB3 :: 2.186 HG2 :: 2.206 HG3 :: 2.156 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 :: 124.056 Ave N Shift Values>> N :: 120.68(3.68) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.347 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.096 HA2 :: 3.396 HA3 :: 3.926 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.406 Ave N Shift Values>> N :: 109.91(4.29) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.45 C Shift Assignments>> CA :: 61.007 CB :: 35.367 CG1 :: 21.177 CG2 :: 20.637 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 :: 7.536 HA :: 4.346 HB :: 1.616 HG11 :: 0.466 HG12 :: 0.466 HG13 :: 0.466 HG21 :: -0.044 HG22 :: -0.044 HG23 :: -0.044 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 :: 119.886 Ave N Shift Values>> N :: 121.02(4.96) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 L 0.19 K 0.19 C 0.11 F 0.1 Y 0.08 D 0.06 I 0.01 G 0.01 C Shift Assignments>> CA :: 57.187 CB :: 42.447 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 :: 8.336 HA :: 4.336 HB2 :: 2.966 HB3 :: 2.966 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 :: 126.696 Ave N Shift Values>> N :: 120.69(4.18) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.12 W 0.12 E 0.12 C 0.12 K 0.08 M 0.08 I 0.01 C Shift Assignments>> CA :: 55.817 CB :: 30.267 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 :: 8.586 HA :: 4.676 HB2 :: 2.696 HB3 :: 2.696 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 :: 126.696 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> CA :: 60.257 CB :: 70.497 CG2 :: 22.217 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 :: 9.036 HA :: 4.566 HB :: 3.786 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 116.666 Ave N Shift Values>> N :: 115.7(5.05) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.22 L 0.13 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> CA :: 53.137 CB :: 45.937 CD1 :: 24.477 CD2 :: 26.567 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 :: 8.116 HA :: 5.386 HB2 :: 1.716 HB3 :: 1.716 HG :: 1.666 HD11 :: 1.096 HD12 :: 1.096 HD13 :: 1.096 HD21 :: 0.966 HD22 :: 0.966 HD23 :: 0.966 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.676 Ave N Shift Values>> N :: 121.98(4.07) 1.W106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 C 0.18 W 0.11 P 0.1 R 0.06 I 0.06 E 0.05 K 0.05 M 0.04 H 0.03 Q 0.01 C Shift Assignments>> CA :: 60.867 CB :: 31.807 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 :: 6.836 HA :: 4.406 HB2 :: 2.946 HB3 :: 2.946 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 :: 123.126 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.H107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.13 E 0.13 I 0.11 K 0.1 R 0.09 Q 0.09 H 0.09 V 0.02 M 0.02 C Shift Assignments>> CA :: 59.337 CB :: 29.377 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 :: 9.176 HA :: 4.116 HB2 :: 3.246 HB3 :: 3.246 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 :: 111.146 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 64.277 CB :: 68.527 CG2 :: 22.947 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 :: 7.316 HA :: 3.896 HB :: 3.746 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 113.536 Ave N Shift Values>> N :: 115.7(5.05) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.227 CB :: 69.267 CG2 :: 22.277 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 :: 6.476 HA :: 4.176 HB :: 3.736 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 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 :: 106.336 Ave N Shift Values>> N :: 115.7(5.05) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.17 M 0.01 K 0.01 C Shift Assignments>> CA :: 56.517 CB :: 30.997 CG :: 27.137 CD :: 30.937 CE :: 44.097 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 :: 8.616 HA :: 4.896 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.596 HG3 :: 1.596 HD2 :: 1.646 HD3 :: 1.646 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 :: 120.626 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.707 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.866 HA2 :: 3.806 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.326 Ave N Shift Values>> N :: 109.91(4.29) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 A 0.15 C 0.14 M 0.12 K 0.07 C Shift Assignments>> CA :: 52.487 CB :: 22.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.956 HA :: 4.026 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.036 Ave N Shift Values>> N :: 123.23(3.7) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.28 C 0.02 C Shift Assignments>> CA :: 53.387 CB :: 19.057 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.506 HA :: 4.326 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.346 Ave N Shift Values>> N :: 123.23(3.7) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 C 0.11 N 0.09 K 0.09 R 0.07 F 0.04 Y 0.03 G 0.01 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> CA :: 52.337 CB :: 42.067 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 :: 8.036 HA :: 4.356 HB2 :: 1.306 HB3 :: 1.306 HG :: 1.136 HD11 :: 0.296 HD12 :: 0.296 HD13 :: 0.296 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 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 :: 116.876 Ave N Shift Values>> N :: 121.98(4.07) 1.M115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> CA :: 47.027 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.356 HA2 :: 4.106 HA3 :: 3.636 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 120.536 Ave N Shift Values>> N :: 109.91(4.29) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.29 R 0.1 I 0.07 L 0.01 E 0.01 C Shift Assignments>> CA :: 56.477 CB :: 30.283 CG :: 40.697 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 :: 9.026 HA :: 4.186 HB2 :: 2.136 HB3 :: 1.806 HG2 :: 2.536 HG3 :: 2.196 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 :: 125.446 Ave N Shift Values>> N :: 120.68(3.68) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.386 HA2 :: 3.946 HA3 :: 4.376 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.686 Ave N Shift Values>> N :: 109.91(4.29) 1.R120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.27 K 0.19 M 0.11 C Shift Assignments>> CA :: 54.977 CB :: 29.797 CG :: 29.567 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 :: 8.296 HA :: 4.336 HB2 :: 1.786 HB3 :: 1.786 HG2 :: 1.526 HG3 :: 1.526 HD2 :: 2.896 HD3 :: 2.896 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.166 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.22 G 0.13 R 0.12 A 0.06 C Shift Assignments>> CA :: 53.677 CB :: 43.497 CG :: 27.287 CD1 :: 22.937 CD2 :: 25.877 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 :: 9.406 HA :: 4.746 HB2 :: 1.346 HB3 :: 1.346 HG :: 1.166 HD11 :: 0.586 HD12 :: 0.586 HD13 :: 0.586 HD21 :: 0.256 HD22 :: 0.256 HD23 :: 0.256 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 :: 125.506 Ave N Shift Values>> N :: 121.98(4.07) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.12 N 0.1 K 0.08 R 0.06 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> CA :: 51.887 CB :: 42.097 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 :: 8.986 HA :: 5.196 HB2 :: 2.626 HB3 :: 2.306 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 :: 123.656 Ave N Shift Values>> N :: 120.73(4.2) 1.P123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.13 C 0.12 F 0.07 Y 0.07 K 0.04 C Shift Assignments>> CA :: 53.537 CB :: 40.437 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 :: 9.526 HA :: 4.426 HB2 :: 3.166 HB3 :: 3.166 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 :: 126.906 Ave N Shift Values>> N :: 120.79(4.69) 1.W125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 E 0.14 H 0.13 C 0.12 Q 0.1 M 0.08 K 0.07 I 0.01 V 0.01 HN Overlap>> 1.F235 1.F235 C Shift Assignments>> CA :: 57.107 CB :: 30.577 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.906 HA :: 4.376 HB2 :: 3.046 HB3 :: 3.046 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 :: 119.746 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G126 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>> CA :: 46.147 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.326 HA2 :: 3.896 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.496 Ave N Shift Values>> N :: 109.91(4.29) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.267 CB :: 65.107 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.056 HA :: 3.896 HB2 :: 3.006 HB3 :: 3.006 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.126 Ave N Shift Values>> N :: 116.3(3.95) 1.V128 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 65.627 CB :: 31.527 CG1 :: 20.567 CG2 :: 20.887 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 :: 7.966 HA :: 4.126 HB :: 1.296 HG11 :: 0.386 HG12 :: 0.386 HG13 :: 0.386 HG21 :: -0.274(S) HG22 :: -0.274(S) HG23 :: -0.274(S) 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 :: 130.416 Ave N Shift Values>> N :: 121.02(4.96) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.34 R 0.08 V 0.08 M 0.03 Q 0.03 P 0.01 I 0.01 C Shift Assignments>> CA :: 59.517 CB :: 32.787 CG :: 24.837 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 :: 7.726 HA :: 3.406 HB2 :: 1.666 HB3 :: 1.666 HG2 :: 1.306 HG3 :: 1.306 HD2 :: 1.466 HD3 :: 1.466 HE2 :: 2.666 HE3 :: 2.666 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 :: 119.866 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E130 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.39 E 0.39 M 0.08 I 0.05 K 0.04 Q 0.01 C Shift Assignments>> CA :: 55.967 CB :: 30.283 CG :: 36.967 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 :: 7.186 HA :: 3.976 HB2 :: 2.066 HB3 :: 2.176 HG2 :: 2.206 HG3 :: 2.046 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 :: 108.936(A) Ave N Shift Values>> N :: 120.68(3.68) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.05 R 0.04 C Shift Assignments>> CA :: 53.977 CB :: 41.467 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 :: 7.776 HA :: 4.416 HB2 :: 2.376 HB3 :: 2.596 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 :: 118.656 Ave N Shift Values>> N :: 120.73(4.2) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 R 0.26 L 0.03 G 0.02 HN Overlap>> 1.E176 1.E176 C Shift Assignments>> CA :: 56.367 CB :: 30.317 CG :: 24.827 CD :: 42.557 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 :: 7.766 HA :: 5.226 HB2 :: 1.776 HB3 :: 1.776 HG2 :: 1.316 HG3 :: 1.316 HD2 :: 2.976 HD3 :: 2.976 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 :: 113.126 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 R 0.15 D 0.14 C 0.1 F 0.07 Y 0.05 N 0.01 C Shift Assignments>> CA :: 55.407 CB :: 42.257 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 :: 8.436 HA :: 5.206 HB2 :: 1.136 HB3 :: 1.136 HG :: 0.956 HD11 :: 0.636 HD12 :: 0.636 HD13 :: 0.636 HD21 :: 0.486 HD22 :: 0.486 HD23 :: 0.486 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 :: 123.086 Ave N Shift Values>> N :: 121.98(4.07) 1.C134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 C 0.16 K 0.14 R 0.12 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> CA :: 55.037 CB :: 31.997 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.776 HA :: 3.906 HB2 :: 2.996 HB3 :: 2.996 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 :: 120.246 Ave N Shift Values>> N :: 119.95(4.79) 1.Y135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.22 C 0.13 G 0.07 F 0.07 K 0.06 Y 0.05 D 0.03 C Shift Assignments>> CA :: 57.357 CB :: 43.547 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 :: 9.296 HA :: 4.366 HB2 :: 3.086 HB3 :: 3.106 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 :: 119.096 Ave N Shift Values>> N :: 120.79(4.69) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> CA :: 45.267 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.106 HA2 :: 3.586 HA3 :: 3.866 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.506 Ave N Shift Values>> N :: 109.91(4.29) 1.G137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.237 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.006 HA2 :: 3.036 HA3 :: 2.936 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.006 Ave N Shift Values>> N :: 109.91(4.29) 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.12 I 0.11 R 0.1 H 0.08 Q 0.07 K 0.06 V 0.06 M 0.03 P 0.01 C Shift Assignments>> CA :: 59.807 CB :: 30.027 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.066 HA :: 3.926 HB2 :: 3.036 HB3 :: 3.036 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 :: 119.966 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.22 C 0.21 Q 0.19 K 0.16 H 0.05 R 0.04 W 0.04 E 0.03 C Shift Assignments>> CA :: 54.517 CB :: 33.667 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 :: 10.816(S) HA :: 4.366 HB2 :: 1.686 HB3 :: 1.686 HG2 :: 0.866 HG3 :: 0.866 HD2 :: 1.536 HD3 :: 1.536 HE2 :: 3.026 HE3 :: 3.026 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 :: 128.626 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.28 R 0.17 G 0.01 K 0.01 C Shift Assignments>> CA :: 55.057 CB :: 42.297 CG :: 27.717 CD1 :: 24.677 CD2 :: 25.767 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 :: 5.906(S) HA :: 3.946 HB2 :: 1.566 HB3 :: 1.566 HG :: 1.326 HD11 :: 0.276 HD12 :: 0.276 HD13 :: 0.276 HD21 :: 0.046 HD22 :: 0.046 HD23 :: 0.046 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 :: 117.366 Ave N Shift Values>> N :: 121.98(4.07) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 H 0.16 M 0.16 R 0.13 W 0.09 Q 0.08 K 0.07 E 0.06 C Shift Assignments>> CA :: 53.147 CB :: 31.047 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 :: 8.136 HA :: 4.016 HB2 :: 1.786 HB3 :: 1.926 HG2 :: 2.336 HG3 :: 2.126 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 :: 118.466 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.24 R 0.2 M 0.01 G 0.01 C Shift Assignments>> CA :: 54.157 CB :: 36.867 CG :: 24.667 CD :: 29.487 CE :: 41.877 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 :: 8.456 HA :: 5.186 HB2 :: 1.886 HB3 :: 1.656 HG2 :: 1.366 HG3 :: 1.366 HD2 :: 1.646 HD3 :: 1.646 HE2 :: 2.756 HE3 :: 2.756 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 :: 118.036 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 Q 0.12 R 0.12 C 0.11 K 0.1 M 0.05 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.277 CB :: 29.827 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 :: 9.746 HA :: 4.696 HB2 :: 3.006 HB3 :: 3.006 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 :: 123.946 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.17 C 0.16 Y 0.07 F 0.05 L 0.03 E 0.01 C Shift Assignments>> CA :: 52.917 CB :: 38.657 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 :: 8.996 HA :: 4.086 HB2 :: 2.746 HB3 :: 2.696 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 :: 128.266 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 C 0.16 M 0.16 R 0.11 W 0.1 H 0.09 E 0.08 Q 0.07 V 0.03 C Shift Assignments>> CA :: 56.997 CB :: 32.317 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 :: 7.456 HA :: 4.906 HB2 :: 2.726 HB3 :: 2.866 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 :: 114.476 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 C 0.11 D 0.08 K 0.07 G 0.05 F 0.05 Y 0.03 HN Overlap>> 1.E228 1.E228 C Shift Assignments>> CA :: 55.547 CB :: 43.367 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 :: 8.246 HA :: 4.856 HB2 :: 2.636 HB3 :: 2.726 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 :: 120.826 Ave N Shift Values>> N :: 120.73(4.2) 1.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.21 I 0.11 E 0.08 D 0.03 N 0.02 L 0.01 M 0.01 HN Overlap>> 1.R80 1.R80 C Shift Assignments>> CA :: 57.807 CG :: 38.377 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 :: 8.666 HA :: 4.536 HB2 :: 2.176 HB3 :: 2.056 HG2 :: 2.516 HG3 :: 2.196 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 :: 116.556 Ave N Shift Values>> N :: 120.68(3.68) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.15 V 0.04 A 0.02 C Shift Assignments>> CA :: 58.757 CB :: 36.857 CG1 :: 22.917 CG2 :: 18.617 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 :: 8.726 HA :: 4.896 HB :: 2.166 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.276 HG22 :: 0.276 HG23 :: 0.276 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 :: 110.836 Ave N Shift Values>> N :: 121.02(4.96) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 C 0.21 K 0.13 H 0.12 R 0.1 W 0.08 Q 0.04 E 0.04 C Shift Assignments>> CA :: 53.567 CB :: 32.187 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 :: 8.746 HA :: 5.236 HB2 :: 2.206 HB3 :: 2.206 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.366 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 C 0.36 M 0.04 C Shift Assignments>> CA :: 53.917 CB :: 31.767 CG :: 35.907 CE :: 19.347 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 :: 8.896 HA :: 4.666 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 2.106 HG3 :: 2.106 HE1 :: 1.166 HE2 :: 1.166 HE3 :: 1.166 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.876 Ave N Shift Values>> N :: 120.1(3.88) 1.I154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.18 M 0.14 I 0.05 C Shift Assignments>> CA :: 61.567 CB :: 35.767 CG1 :: 31.047 CG2 :: 20.527 CD1 :: 17.067 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 :: 8.336 HA :: 4.836 HB :: 1.726 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 HD11 :: 0.586 HD12 :: 0.586 HD13 :: 0.586 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.676 Ave N Shift Values>> N :: 121.6(4.72) 1.V155 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> CA :: 64.017 CB :: 32.047 CG1 :: 20.427 CG2 :: 21.037 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 :: 3.816 HB :: 1.716 HG11 :: 0.526 HG12 :: 0.526 HG13 :: 0.526 HG21 :: -0.174(S) HG22 :: -0.174(S) HG23 :: -0.174(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.076 Ave N Shift Values>> N :: 121.02(4.96) 1.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.22 K 0.01 C Shift Assignments>> CA :: 59.367 CB :: 32.817 CG1 :: 22.897 CG2 :: 24.517 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 :: 7.626 HA :: 4.056 HB :: 1.316 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 133.706 Ave N Shift Values>> N :: 121.02(4.96) 1.E157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 M 0.11 K 0.09 Q 0.06 I 0.01 C Shift Assignments>> CA :: 54.027 CB :: 30.027 CG :: 36.107 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 :: 7.446 HA :: 4.416 HB2 :: 1.756 HB3 :: 1.566 HG2 :: 2.006 HG3 :: 2.156 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 :: 125.146 Ave N Shift Values>> N :: 120.68(3.68) 1.P158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G159 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>> CA :: 45.867 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.866 HA2 :: 3.936 HA3 :: 3.616 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.726 Ave N Shift Values>> N :: 109.91(4.29) 1.K160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 K 0.2 M 0.05 I 0.01 A 0.01 E 0.01 Q 0.01 C Shift Assignments>> CA :: 53.507 CB :: 36.127 CG :: 24.647 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 :: 7.506 HA :: 4.426 HB2 :: 1.756 HB3 :: 1.756 HG2 :: 1.136 HG3 :: 1.136 HD2 :: 1.456 HD3 :: 1.456 HE2 :: 2.836 HE3 :: 2.836 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 :: 118.056 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 R 0.13 C 0.1 K 0.1 N 0.04 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> CA :: 53.277 CB :: 42.477 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 :: 8.536 HA :: 4.436 HB2 :: 2.536 HB3 :: 2.746 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 :: 119.606 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 HN Overlap>> 1.V26 1.V26 C Shift Assignments>> CA :: 63.877 CB :: 32.107 CG1 :: 23.687 CG2 :: 22.417 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 :: 8.576 HA :: 3.916 HB :: 1.756 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.226 Ave N Shift Values>> N :: 121.02(4.96) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 K 0.16 M 0.01 C Shift Assignments>> CA :: 54.707 CB :: 29.857 CG :: 27.387 CD :: 29.527 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 :: 7.416 HA :: 4.546 HB2 :: 1.736 HB3 :: 1.736 HG2 :: 1.246 HG3 :: 1.246 HD2 :: 1.616 HD3 :: 1.616 HE2 :: 2.776 HE3 :: 2.776 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 :: 123.056 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 C 0.13 N 0.09 R 0.07 K 0.07 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> CA :: 51.757 CB :: 42.267 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 :: 8.516 HA :: 4.836 HB2 :: 2.266 HB3 :: 1.956 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 :: 121.786 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> CA :: 60.527 CB :: 35.337 CG1 :: 21.937 CG2 :: 21.937 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 :: 8.356 HA :: 4.426 HB :: 1.706 HG11 :: 0.746 HG12 :: 0.746 HG13 :: 0.746 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 115.966 Ave N Shift Values>> N :: 121.02(4.96) 1.Q166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.32 M 0.11 K 0.09 Q 0.06 I 0.01 C Shift Assignments>> CA :: 53.977 CB :: 30.017 CG :: 36.137 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 :: 9.196 HA :: 4.816 HB2 :: 1.516 HB3 :: 1.706 HG2 :: 2.066 HG3 :: 2.186 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 :: 127.526 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 60.537 CB :: 70.277 CG2 :: 21.977 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 :: 8.776 HA :: 4.836 HB :: 3.806 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 117.356 Ave N Shift Values>> N :: 115.7(5.05) 1.K168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.42 M 0.03 C Shift Assignments>> CA :: 52.717 CB :: 33.117 CG :: 24.997 CD :: 29.247 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 :: 7.976 HA :: 4.926 HB2 :: 1.936 HB3 :: 1.676 HG2 :: 1.496 HG3 :: 1.316 HD2 :: 1.746 HD3 :: 1.746 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 :: 128.506 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.23 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 HN Overlap>> 1.I5 1.I5 C Shift Assignments>> CA :: 43.987 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.166 HA2 :: 4.156 HA3 :: 4.156 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.606 Ave N Shift Values>> N :: 109.91(4.29) 1.V171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> CA :: 60.457 CB :: 35.887 CG1 :: 20.407 CG2 :: 20.627 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 :: 8.236 HA :: 4.906 HB :: 1.786 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: -0.074 HG22 :: -0.074 HG23 :: -0.074 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 :: 114.246 Ave N Shift Values>> N :: 121.02(4.96) 1.F172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.16 D 0.14 Y 0.05 F 0.03 L 0.02 C Shift Assignments>> CA :: 51.917 CB :: 38.477 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.396 HA :: 5.396 HB2 :: 3.046 HB3 :: 3.046 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 :: 123.706 Ave N Shift Values>> N :: 120.69(4.18) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.11 K 0.05 M 0.01 HN Overlap>> 1.Y79 1.Y79 C Shift Assignments>> CA :: 55.867 CB :: 32.397 CG :: 27.267 CD :: 30.427 CE :: 43.697 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 :: 9.076 HA :: 5.266 HB2 :: 2.046 HB3 :: 1.826 HG2 :: 1.576 HG3 :: 1.576 HD2 :: 1.816 HD3 :: 1.816 HE2 :: 2.866 HE3 :: 2.866 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 :: 126.206 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 C Shift Assignments>> CA :: 59.297 CB :: 71.477 CG2 :: 21.697 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 :: 7.966 HA :: 4.486 HB :: 3.976 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 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 :: 118.886 Ave N Shift Values>> N :: 115.7(5.05) 1.P175 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.04 Q 0.04 HN Overlap>> 1.R132 1.R132 C Shift Assignments>> CA :: 56.277 CB :: 30.287 CG :: 36.367 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 :: 7.776 HA :: 4.326 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.176 HG3 :: 2.066 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 :: 113.146 Ave N Shift Values>> N :: 120.68(3.68) 1.G177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.546 HA2 :: 4.466 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.406 Ave N Shift Values>> N :: 109.91(4.29) 1.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.19 M 0.15 I 0.01 HN Overlap>> 1.I195 1.I195 C Shift Assignments>> CA :: 55.937 CB :: 33.027 CG :: 37.367 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 :: 8.586 HA :: 4.466 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 2.006 HG3 :: 2.176 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 :: 120.876 Ave N Shift Values>> N :: 120.68(3.68) 1.I179 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.25 G 0.1 L 0.02 C Shift Assignments>> CA :: 60.227 CB :: 42.867 CG1 :: 28.337 CG2 :: 21.667 CD1 :: 20.587(S) 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 :: 9.126 HA :: 4.576 HB :: 1.836 HG12 :: 1.186 HG13 :: 1.186 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.826 Ave N Shift Values>> N :: 121.6(4.72) 1.G180 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>> CA :: 46.997 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.826 HA2 :: 3.116 HA3 :: 3.116 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.236 Ave N Shift Values>> N :: 109.91(4.29) 1.A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> CA :: 50.687 CB :: 18.107 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.406 HA :: 4.386 HB1 :: 1.236 HB2 :: 1.236 HB3 :: 1.236 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.436 Ave N Shift Values>> N :: 123.23(3.7) 1.V182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.32 A 0.04 C Shift Assignments>> CA :: 57.607 CB :: 32.807 CG1 :: 22.177 CG2 :: 20.137 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 :: 9.196 HA :: 4.916 HB :: 1.766 HG11 :: 0.326 HG12 :: 0.326 HG13 :: 0.326 HG21 :: -0.084 HG22 :: -0.084 HG23 :: -0.084 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 :: 112.466 Ave N Shift Values>> N :: 121.02(4.96) 1.T183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.23 S 0.05 C Shift Assignments>> CA :: 59.917 CB :: 67.637 CG2 :: 22.227 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 :: 9.306 HA :: 4.906 HB :: 4.356 HG21 :: 1.076 HG22 :: 1.076 HG23 :: 1.076 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 :: 123.546 Ave N Shift Values>> N :: 115.7(5.05) 1.L184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.28 C 0.21 A 0.01 C Shift Assignments>> CA :: 53.297 CB :: 44.527 CD1 :: 24.147 CD2 :: 26.577 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 :: 6.946 HA :: 4.496 HB2 :: 1.616 HB3 :: 1.616 HG :: 1.316 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.536 Ave N Shift Values>> N :: 121.98(4.07) 1.D185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.14 C 0.1 R 0.07 N 0.06 F 0.06 Y 0.04 C Shift Assignments>> CA :: 53.897 CB :: 41.837 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 :: 8.746 HA :: 4.496 HB2 :: 2.816 HB3 :: 2.616 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 :: 127.836 Ave N Shift Values>> N :: 120.73(4.2) 1.Y186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 R 0.22 K 0.16 C 0.11 F 0.08 D 0.08 Y 0.06 G 0.01 C Shift Assignments>> CA :: 56.507 CB :: 42.647 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 :: 7.286 HA :: 4.686 HB2 :: 2.796 HB3 :: 2.796 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 :: 121.666 Ave N Shift Values>> N :: 120.79(4.69) 1.P187 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T188 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G189 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T190 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 :: 62.587 CB :: 69.267 CG2 :: 22.817 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 :: 8.296 HA :: 4.296 HB :: 3.846 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 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 :: 115.206 Ave N Shift Values>> N :: 115.7(5.05) 1.S191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> CA :: 61.607 CB :: 65.477 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.376 HA :: 4.306 HB2 :: 3.776 HB3 :: 3.776 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 :: 118.176 Ave N Shift Values>> N :: 116.3(3.95) 1.G192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.607 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.106 HA2 :: 5.156 HA3 :: 5.156 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.286 Ave N Shift Values>> N :: 109.91(4.29) 1.S193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.347 CB :: 63.277 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.876 HA :: 4.236 HB2 :: 3.876 HB3 :: 3.876 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 :: 116.106 Ave N Shift Values>> N :: 116.3(3.95) 1.P194 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.15 M 0.04 HN Overlap>> 1.E178 1.E178 C Shift Assignments>> CA :: 58.977 CB :: 36.597 CG1 :: 29.177 CG2 :: 21.147 CD1 :: 13.537 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 :: 8.556 HA :: 4.896 HB :: 1.786 HG12 :: 1.556 HG13 :: 1.556 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 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 :: 120.806 Ave N Shift Values>> N :: 121.6(4.72) 1.V196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.09 I 0.04 A 0.02 C Shift Assignments>> CA :: 58.727 CB :: 36.237 CG1 :: 18.887 CG2 :: 21.767 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 :: 9.726 HA :: 5.506 HB :: 2.016 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.606 HG22 :: 0.606 HG23 :: 0.606 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 :: 120.806 Ave N Shift Values>> N :: 121.02(4.96) 1.D197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 G 0.15 C 0.14 R 0.11 N 0.04 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.517 CB :: 42.997 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 :: 8.366 HA :: 5.076 HB2 :: 2.566 HB3 :: 2.586 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 :: 119.786 Ave N Shift Values>> N :: 120.73(4.2) 1.K198 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.46 M 0.05 C Shift Assignments>> CA :: 57.667 CB :: 31.267 CG :: 24.207 CD :: 29.247 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 :: 7.686 HA :: 5.076 HB2 :: 0.756(S) HB3 :: 0.756(S) HG2 :: 0.486(S) HG3 :: 0.486 HD2 :: 1.146 HD3 :: 1.146 HE2 :: 2.646 HE3 :: 2.646 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 :: 115.406 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> CA :: 53.027 CB :: 38.867 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.746 HA :: 4.436 HB2 :: 2.606 HB3 :: 2.776 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 :: 117.116 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> CA :: 44.907 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.756 HA2 :: 4.056 HA3 :: 3.166 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.716 Ave N Shift Values>> N :: 109.91(4.29) 1.D201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.15 C 0.1 R 0.09 F 0.06 N 0.05 Y 0.04 C Shift Assignments>> CA :: 54.107 CB :: 41.937 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 :: 7.776 HA :: 4.436 HB2 :: 2.406 HB3 :: 2.776 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 :: 118.876 Ave N Shift Values>> N :: 120.73(4.2) 1.V202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 63.147 CB :: 32.137 CG1 :: 22.477 CG2 :: 22.457 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 :: 8.556 HA :: 4.196 HB :: 1.786 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 119.836 Ave N Shift Values>> N :: 121.02(4.96) 1.I203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 G 0.16 V 0.05 C Shift Assignments>> CA :: 60.547 CB :: 42.847 CG1 :: 27.097 CG2 :: 21.667 CD1 :: 18.887 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 :: 8.926 HA :: 4.186 HB :: 1.976 HG12 :: 1.636 HG13 :: 1.636 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 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 :: 121.276 Ave N Shift Values>> N :: 121.6(4.72) 1.G204 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 :: 45.057 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.476 HA2 :: 3.776 HA3 :: 3.776 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.816 Ave N Shift Values>> N :: 109.91(4.29) 1.L205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.31 A 0.14 R 0.01 C Shift Assignments>> CA :: 53.087 CB :: 41.237 CG :: 29.267 CD1 :: 22.977 CD2 :: 22.917 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 :: 9.356 HA :: 5.106 HB2 :: 1.746 HB3 :: 1.746 HG :: 1.146 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.416 Ave N Shift Values>> N :: 121.98(4.07) 1.Y206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 K 0.19 F 0.14 L 0.13 C 0.13 Y 0.1 D 0.03 I 0.02 G 0.01 C Shift Assignments>> CA :: 58.407 CB :: 42.417 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 :: 9.006 HA :: 4.386 HB2 :: 3.006 HB3 :: 3.006 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 :: 119.186 Ave N Shift Values>> N :: 120.79(4.69) 1.G207 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.17 C 0.1 F 0.09 Y 0.07 R 0.06 N 0.04 C Shift Assignments>> CA :: 55.057 CB :: 41.567 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 :: 6.866 HA :: 3.926 HB2 :: 2.646 HB3 :: 2.476 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.276 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> CA :: 46.397 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.506 HA2 :: 4.586 HA3 :: 4.076 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.296 Ave N Shift Values>> N :: 109.91(4.29) 1.V210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.16 I 0.03 A 0.01 C Shift Assignments>> CA :: 58.967 CB :: 36.187 CG1 :: 19.647 CG2 :: 21.977 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 :: 8.246 HA :: 4.586 HB :: 1.596 HG11 :: 0.426 HG12 :: 0.426 HG13 :: 0.426 HG21 :: 0.356 HG22 :: 0.356 HG23 :: 0.356 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 :: 116.466 Ave N Shift Values>> N :: 121.02(4.96) 1.I211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.07 I 0.03 C Shift Assignments>> CA :: 59.617 CB :: 37.947 CG1 :: 28.217 CG2 :: 20.887 CD1 :: 18.407 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.836 HA :: 4.266 HB :: 1.676 HG12 :: 1.216 HG13 :: 1.216 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 0.446 HD12 :: 0.446 HD13 :: 0.446 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 :: 121.456 Ave N Shift Values>> N :: 121.6(4.72) 1.M212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 C 0.27 M 0.22 C Shift Assignments>> CA :: 53.667 CB :: 36.067 CG :: 32.817 CE :: 19.267 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 :: 8.756 HA :: 4.296 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.426 HG3 :: 2.176 HE1 :: 1.186 HE2 :: 1.186 HE3 :: 1.186 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 :: 126.176 Ave N Shift Values>> N :: 120.1(3.88) 1.P213 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.11 N 0.1 K 0.09 R 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 52.497 CB :: 41.967 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.536 HA :: 4.476 HB2 :: 2.706 HB3 :: 2.646 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 :: 111.926 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> CA :: 45.007 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.556 HA2 :: 3.436 HA3 :: 3.706 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.426 Ave N Shift Values>> N :: 109.91(4.29) 1.S216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.047 CB :: 63.867 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.646 HA :: 4.236 HB2 :: 3.716 HB3 :: 3.716 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 :: 116.646 Ave N Shift Values>> N :: 116.3(3.95) 1.Y217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.17 R 0.15 F 0.13 C 0.12 Y 0.09 D 0.06 I 0.01 C Shift Assignments>> CA :: 57.347 CB :: 42.077 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 :: 7.856 HA :: 4.996 HB2 :: 2.666 HB3 :: 2.666 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 :: 122.936 Ave N Shift Values>> N :: 120.79(4.69) 1.I218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.1 V 0.04 A 0.01 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> CA :: 59.527 CB :: 41.187 CG1 :: 28.207 CG2 :: 19.637 CD1 :: 18.127 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.576 HA :: 4.266 HB :: 1.306 HG12 :: 1.176 HG13 :: 1.176 HG21 :: 0.556 HG22 :: 0.556 HG23 :: 0.556 HD11 :: 0.326 HD12 :: 0.326 HD13 :: 0.326 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 :: 124.676 Ave N Shift Values>> N :: 121.6(4.72) 1.S219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.527 CB :: 64.787 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.086 HA :: 4.256 HB2 :: 3.626 HB3 :: 3.626 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 :: 115.836 Ave N Shift Values>> N :: 116.3(3.95) 1.A220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.3 C 0.02 C Shift Assignments>> CA :: 53.527 CB :: 19.167 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.806 HA :: 3.916 HB1 :: 1.286 HB2 :: 1.286 HB3 :: 1.286 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.466 Ave N Shift Values>> N :: 123.23(3.7) 1.I221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 62.317 CB :: 37.697 CG1 :: 27.167 CG2 :: 19.627 CD1 :: 16.337 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.936 HA :: 3.786 HB :: 1.586 HG12 :: 1.206 HG13 :: 1.206 HG21 :: 0.636 HG22 :: 0.636 HG23 :: 0.636 HD11 :: 0.196 HD12 :: 0.196 HD13 :: 0.196 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 :: 121.386 Ave N Shift Values>> N :: 121.6(4.72) 1.V222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 65.197 CB :: 32.067 CG1 :: 21.827 CG2 :: 21.907 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 :: 9.006 HA :: 3.886 HB :: 2.206 HG11 :: 1.186 HG12 :: 1.186 HG13 :: 1.186 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 131.006 Ave N Shift Values>> N :: 121.02(4.96) 1.Q223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.42 Q 0.07 E 0.02 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> CA :: 53.817 CB :: 33.247 CG :: 33.287 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 :: 8.506 HA :: 5.356 HB2 :: 1.916 HB3 :: 1.776 HG2 :: 2.516 HG3 :: 2.586 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 :: 127.426 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 R 0.25 L 0.25 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.147 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.806 HA2 :: 4.256 HA3 :: 2.976 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.756 Ave N Shift Values>> N :: 109.91(4.29) 1.E225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 M 0.18 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.507 CB :: 30.987 CG :: 36.107 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 :: 7.826 HA :: 4.216 HB2 :: 1.876 HB3 :: 1.626 HG2 :: 2.136 HG3 :: 2.136 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 :: 117.676 Ave N Shift Values>> N :: 120.68(3.68) 1.R226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 C 0.25 Q 0.24 R 0.13 E 0.05 M 0.04 C Shift Assignments>> CA :: 56.937 CB :: 33.137 CG :: 28.367 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 :: 8.336 HA :: 4.056 HB2 :: 1.606 HB3 :: 1.606 HG2 :: 1.436 HG3 :: 1.436 HD2 :: 2.956 HD3 :: 2.956 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 :: 122.986 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 M 0.01 E 0.01 C Shift Assignments>> CA :: 54.927 CB :: 35.767 CG :: 36.297 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 :: 8.696 HA :: 4.376 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.246 HG3 :: 2.246 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 :: 127.686 Ave N Shift Values>> N :: 120.1(3.88) 1.E228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 M 0.21 Q 0.06 K 0.05 I 0.01 HN Overlap>> 1.D149 1.D149 C Shift Assignments>> CA :: 55.157 CB :: 31.077 CG :: 35.857 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 :: 8.286 HA :: 4.266 HB2 :: 1.936 HB3 :: 1.676 HG2 :: 2.366 HG3 :: 2.106 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 :: 120.856 Ave N Shift Values>> N :: 120.68(3.68) 1.E229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 K 0.1 M 0.08 Q 0.06 I 0.02 C Shift Assignments>> CA :: 54.697 CB :: 29.767 CG :: 36.167 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 :: 4.386 HB2 :: 1.936 HB3 :: 1.746 HG2 :: 2.186 HG3 :: 2.126 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 :: 123.136 Ave N Shift Values>> N :: 120.68(3.68) 1.P230 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 50.377 CB :: 18.127 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.296 HA :: 4.446 HB1 :: 1.226 HB2 :: 1.226 HB3 :: 1.226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.616 Ave N Shift Values>> N :: 123.23(3.7) 1.P232 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 C Shift Assignments>> CA :: 52.727 CB :: 19.337 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.326 HA :: 4.186 HB1 :: 1.276 HB2 :: 1.276 HB3 :: 1.276 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.436 Ave N Shift Values>> N :: 123.23(3.7) 1.G234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> CA :: 45.257 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.296 HA2 :: 3.786 HA3 :: 3.786 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.316 Ave N Shift Values>> N :: 109.91(4.29) 1.F235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.08 L 0.07 I 0.07 K 0.04 N 0.02 HN Overlap>> 1.W125 1.W125 C Shift Assignments>> CA :: 57.577 CB :: 39.947 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 :: 7.926 HA :: 4.836 HB2 :: 2.916 HB3 :: 2.916 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 :: 119.736 Ave N Shift Values>> N :: 120.69(4.18) 1.E236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 M 0.1 K 0.09 Q 0.06 I 0.01 C Shift Assignments>> CA :: 54.407 CB :: 29.977 CG :: 36.127 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 :: 8.236 HA :: 4.436 HB2 :: 1.906 HB3 :: 1.736 HG2 :: 2.126 HG3 :: 2.186 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 :: 124.606 Ave N Shift Values>> N :: 120.68(3.68) 1.P237 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.33 I 0.18 M 0.02 K 0.02 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 57.617 CB :: 29.977 CG :: 37.907 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 :: 4.036 HB2 :: 1.896 HB3 :: 2.166 HG2 :: 2.186 HG3 :: 2.186 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 :: 120.186 Ave N Shift Values>> N :: 120.68(3.68) 1.M239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.39 Q 0.1 E 0.02 K 0.02 C Shift Assignments>> CA :: 56.117 CB :: 32.537 CG :: 32.557 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 :: 8.166 HA :: 4.286 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 2.436 HG3 :: 2.436 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 :: 119.846 Ave N Shift Values>> N :: 120.1(3.88) 1.L240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.31 R 0.02 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.407 CB :: 42.307 CG :: 27.117 CD1 :: 23.487 CD2 :: 23.487 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 :: 7.906 HA :: 4.686 HB2 :: 1.526 HB3 :: 1.526 HG :: 1.466 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.386 HD22 :: 0.386 HD23 :: 0.386 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.736 Ave N Shift Values>> N :: 121.98(4.07) 1.R241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.08 C Shift Assignments>> CA :: 56.107 CB :: 30.947 CG :: 27.297 CD :: 43.497 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 :: 7.916 HA :: 4.216 HB2 :: 1.676 HB3 :: 1.736 HG2 :: 1.496 HG3 :: 1.536 HD2 :: 3.136 HD3 :: 3.136 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 :: 121.256 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.38 M 0.04 R 0.01 C Shift Assignments>> CA :: 56.357 CB :: 33.177 CG :: 24.737 CD :: 29.147 CE :: 40.047 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 :: 8.166 HA :: 4.216 HB2 :: 1.646 HB3 :: 1.736 HG2 :: 1.346 HG3 :: 1.316 HD2 :: 1.596 HD3 :: 1.596 HE2 :: 2.816 HE3 :: 2.816 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 :: 123.486 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.37 M 0.02 R 0.02 C Shift Assignments>> CA :: 57.837 CB :: 33.847 CG :: 24.837 CD :: 29.277 CE :: 40.187 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 :: 7.886 HA :: 4.696 HB2 :: 1.606 HB3 :: 1.706 HG2 :: 1.306 HG3 :: 1.306 HD2 :: 1.556 HD3 :: 1.556 HE2 :: 2.806 HE3 :: 2.806 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 :: 128.316 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.11 Overall Status: Residue type 1 not supported. ########################################################################### Overall Results: #Consistent: 233 #Clerical: 0 #Suspicious: 7 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 195 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 46 Shift Relative Order (SRO) Results: #Consistent: 243 #Suspicious: 0 C Shift Results: #Consistent: 541 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1209 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 195 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.I5 Typing: Suspicious 1.I5 CD1 = 20.117(S), Expected = 13.41, Std = 1.9100, ChiSquare = 4.4555e-04 1.L30 HD11 = -0.244(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7296e-04 1.L30 HD12 = -0.244(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7296e-04 1.L30 HD13 = -0.244(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7296e-04 1.M97 N = 135.656(A), Expected = 120.10, Std = 3.8800, ChiSquare = 6.0905e-05 1.V128 HG21 = -0.274(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4072e-04 1.V128 HG22 = -0.274(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4072e-04 1.V128 HG23 = -0.274(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.4072e-04 1.E130 N = 108.936(A), Expected = 120.68, Std = 3.6800, ChiSquare = 1.4163e-03 1.K140 H = 10.816(S), Expected = 8.22, Std = 0.6400, ChiSquare = 4.9867e-05 1.L141 H = 5.906(S), Expected = 8.22, Std = 0.6500, ChiSquare = 3.7085e-04 1.V155 HG21 = -0.174(S), Expected = 0.83, Std = 0.2900, ChiSquare = 5.3604e-04 1.V155 HG22 = -0.174(S), Expected = 0.83, Std = 0.2900, ChiSquare = 5.3604e-04 1.V155 HG23 = -0.174(S), Expected = 0.83, Std = 0.2900, ChiSquare = 5.3604e-04 1.I179 Typing: Mistyped 1.I179 CD1 = 20.587(S), Expected = 13.41, Std = 1.9100, ChiSquare = 1.7156e-04 1.K198 HB2 = 0.756(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.5341e-05 1.K198 HB3 = 0.756(S), Expected = 1.78, Std = 0.2600, ChiSquare = 8.2006e-05 1.K198 HG2 = 0.486(S), Expected = 1.38, Std = 0.2700, ChiSquare = 9.2926e-04