Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.36 C 0.16 Q 0.15 H 0.11 W 0.08 K 0.06 E 0.04 I 0.01 C Shift Assignments>> CA :: 54.1 CG :: 27.3(S) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.70 HB2 :: 2.98 HB3 :: 2.98 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 F 0.01 C Shift Assignments>> C :: 173.9 CA :: 45.2 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.63 HA2 :: 4.07 HA3 :: 4.07 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1 Ave N Shift Values>> N :: 109.67(3.87) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.6(D) CA :: 57.9(D) CB :: 64.9(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.68(D) HA :: 4.73(D) HB2 :: 4.46(D) HB3 :: 4.15(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 I 0.33 E 0.19 K 0.01 C Shift Assignments>> C :: 178.9(D) CA :: 60.7(D) CB :: 29.9(D) CG :: 37.3(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.27(D) HA :: 4.14(D) HB2 :: 2.07(D) HB3 :: 2.07(D) HG2 :: 2.38(D) HG3 :: 2.38(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.69 L 0.26 G 0.03 C Shift Assignments>> C :: 178.3(D) CA :: 58.4(D) CB :: 42.3(D) CG :: 24.4(D) CD1 :: 23.9(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.98(D) HA :: 4.04(D) HB2 :: 1.61(D) HB3 :: 1.61(D) HG :: 1.58(D) HD11 :: 0.83(D) HD12 :: 0.83(D) HD13 :: 0.83(D) HD21 :: 0.83(D) HD22 :: 0.83(D) HD23 :: 0.83(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 E 0.24 I 0.23 M 0.01 K 0.01 HN Overlap>> 1.L82 1.L82 C Shift Assignments>> C :: 178.4(D) CA :: 60.2(D) CB :: 30.3(D) CG :: 37.3(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.03(D) HA :: 3.78(D) HG2 :: 2.27(D) HG3 :: 2.27(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.0(D) CA :: 66.6(D) CB :: 69.0(D) CG2 :: 21.4(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.20(D) HA :: 4.00(D) HB :: 4.35(D) HG21 :: 1.26(D) HG22 :: 1.26(D) HG23 :: 1.26(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.5(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.21 I 0.09 C 0.03 C Shift Assignments>> C :: 179.3 CA :: 56.2 CB :: 18.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.24 HA :: 4.16 HB1 :: 1.59 HB2 :: 1.59 HB3 :: 1.59 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5 Ave N Shift Values>> N :: 123.23(3.54) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.25 Q 0.09 I 0.06 M 0.06 K 0.05 C Shift Assignments>> C :: 178.0 CA :: 60.3 CB :: 35.2 CG :: 30.5 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.14 HA :: 3.76 HB2 :: 2.28 HB3 :: 2.28 HG2 :: 2.55 HG3 :: 2.55 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.9 Ave N Shift Values>> N :: 120.09(3.57) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 I 0.32 E 0.21 K 0.01 C Shift Assignments>> C :: 179.1 CA :: 60.2 CB :: 29.7 CG :: 37.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.53 HA :: 3.90 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 2.54 HG3 :: 2.54 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 120.67(3.48) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 T 0.33 C 0.01 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> C :: 175.7 CA :: 67.6 CG2 :: 22.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.53 HA :: 4.09 HB :: 4.47 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 115.42(4.75) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.14 G 0.03 C Shift Assignments>> C :: 181.0 CA :: 59.5 CB :: 42.1 CG :: 24.3 CD1 :: 23.7 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.02 HA :: 3.95 HB2 :: 1.42 HB3 :: 1.42 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 HD21 :: 0.75 HD22 :: 0.75 HD23 :: 0.75 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.5 Ave N Shift Values>> N :: 121.86(3.9) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 177.6 CA :: 66.0 CB :: 39.4 CG1 :: 30.6 CG2 :: 17.5 CD1 :: 14.8 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.76 HA :: 3.90 HB :: 1.98 HG21 :: 0.81 HG22 :: 0.81 HG23 :: 0.81 HD11 :: 0.74 HD12 :: 0.74 HD13 :: 0.74 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 121.46(4.28) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.21 C 0.19 N 0.09 D 0.06 E 0.06 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 178.9 CA :: 56.5 CB :: 38.3 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.11 HA :: 4.50 HB2 :: 2.99 HB3 :: 2.99 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.9 CA :: 67.0 CB :: 31.9 CG1 :: 23.2 CG2 :: 22.2 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.94 HA :: 3.86 HB :: 2.14 HG11 :: 1.07 HG12 :: 1.07 HG13 :: 1.07 HG21 :: 1.07 HG22 :: 1.07 HG23 :: 1.07 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.14(4.54) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.14 Y 0.12 F 0.12 C Shift Assignments>> C :: 177.8 CA :: 62.7 CB :: 39.3 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.97 HA :: 3.44 HB2 :: 2.92 HB3 :: 2.30 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.7 Ave N Shift Values>> N :: 120.45(4.18) 1.H17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.19 W 0.15 K 0.11 Q 0.1 E 0.09 H 0.08 L 0.02 C Shift Assignments>> C :: 176.6 CA :: 59.4 CB :: 28.2 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.12 HA :: 4.23 HB2 :: 2.85 HB3 :: 2.85 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.2 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.45 C 0.01 I 0.01 HN Overlap>> 1.D71 1.D71 C Shift Assignments>> C :: 178.5 CA :: 54.4 CB :: 18.0 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.34 HA :: 4.16 HB1 :: 1.38 HB2 :: 1.38 HB3 :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2 Ave N Shift Values>> N :: 123.23(3.54) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.16 E 0.16 H 0.16 Q 0.11 M 0.09 K 0.08 V 0.01 I 0.01 C Shift Assignments>> C :: 174.4 CA :: 57.4 CB :: 30.7 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.17 HA :: 4.51 HB2 :: 3.25 HB3 :: 2.56 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 59.2 CB :: 63.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.95 HA :: 4.11 HB2 :: 3.39 HB3 :: 2.64(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.6 Ave N Shift Values>> N :: 116.28(3.52) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 C 0.03 F 0.01 C Shift Assignments>> C :: 173.7 CA :: 45.1 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.16 HA2 :: 4.27 HA3 :: 3.88 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8 Ave N Shift Values>> N :: 109.67(3.87) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.48 G 0.01 C Shift Assignments>> C :: 176.3 CA :: 57.3 CB :: 33.6 CG :: 24.9 CD :: 29.1 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.05 HA :: 4.24 HB2 :: 1.51 HB3 :: 1.51 HG2 :: 1.04 HG3 :: 1.04 HD2 :: 1.76 HD3 :: 1.76 HE2 :: 2.85 HE3 :: 2.85 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.24 Q 0.06 K 0.02 C Shift Assignments>> C :: 176.1 CA :: 56.0 CB :: 31.3 CG :: 35.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.29 HA :: 4.45 HB2 :: 1.39 HB3 :: 1.39 HG2 :: 2.19 HG3 :: 2.19 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.67(3.48) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.1 CA :: 46.4 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49 HA2 :: 3.98 HA3 :: 3.75 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1 Ave N Shift Values>> N :: 109.67(3.87) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.25 K 0.15 F 0.09 N 0.07 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.2 CA :: 54.5 CB :: 41.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.51 HA :: 4.55 HB2 :: 3.11 HB3 :: 3.11 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.3 Ave N Shift Values>> N :: 120.65(3.86) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.23 M 0.22 C 0.2 K 0.17 E 0.06 H 0.04 W 0.02 V 0.01 Y 0.01 C Shift Assignments>> C :: 176.1 CA :: 56.2 CB :: 34.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.93 HA :: 4.56 HB2 :: 1.74 HB3 :: 1.74 HG2 :: 1.34 HG3 :: 1.34 HE2 :: 3.01 HE3 :: 3.01 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.15 D 0.02 L 0.02 E 0.01 C Shift Assignments>> C :: 175.7 CA :: 58.5 CB :: 38.9 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.64 HA :: 4.51 HB2 :: 3.15 HB3 :: 3.15 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 120.52(4.2) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.27 G 0.02 A 0.01 HN Overlap>> 1.V79 1.V79 1.N93 1.N93 C Shift Assignments>> C :: 174.4 CA :: 54.7 CB :: 37.2 CG :: 24.5 CD :: 29.1 CE :: 42.2 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.20 HA :: 5.29 HB2 :: 1.48 HB3 :: 1.48 HG2 :: 1.65 HG3 :: 1.65 HE2 :: 2.96 HE3 :: 2.96 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 C 0.19 C Shift Assignments>> C :: 175.7 CA :: 53.4 CB :: 46.1 CG :: 26.1 CD1 :: 25.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.77 HA :: 4.70 HB2 :: 1.00 HB3 :: 1.00 HG :: 1.61 HD11 :: 0.54 HD12 :: 0.54 HD13 :: 0.54 HD21 :: 0.54 HD22 :: 0.54 HD23 :: 0.54 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.9 Ave N Shift Values>> N :: 121.86(3.9) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7 CA :: 58.2 CB :: 64.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.87 HA :: 4.93 HB2 :: 4.46 HB3 :: 4.06 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 116.28(3.52) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.23 G 0.04 C Shift Assignments>> C :: 178.6 CA :: 61.8 CB :: 32.1 CD :: 29.6 CE :: 42.6 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.90 HA :: 3.83 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 1.36 HG3 :: 1.36 HD2 :: 1.93 HD3 :: 1.93 HE2 :: 2.80 HE3 :: 2.80 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.8 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.47 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 179.0 CA :: 59.7 CB :: 32.4 CG :: 24.5 CD :: 29.5 CE :: 42.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.73 HA :: 4.14 HB2 :: 1.90 HB3 :: 1.70 HG2 :: 1.46 HG3 :: 1.46 HE2 :: 2.99 HE3 :: 2.99 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.34 I 0.14 M 0.03 K 0.02 C Shift Assignments>> C :: 179.6 CA :: 58.9 CB :: 30.2 CG :: 37.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.72 HA :: 4.09 HG2 :: 2.31 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.67(3.48) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 C Shift Assignments>> C :: 177.3 CA :: 57.7 CB :: 40.7 CG :: 27.5 CD1 :: 23.5 CD2 :: 22.9 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.62 HA :: 4.07 HB2 :: 2.16 HB3 :: 1.39 HG :: 1.66 HD11 :: 1.09 HD12 :: 1.09 HD13 :: 1.09 HD21 :: 1.09 HD22 :: 1.09 HD23 :: 1.09 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.86(3.9) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.44 C Shift Assignments>> C :: 177.8 CA :: 60.8 CB :: 32.2 CG :: 25.2 CD :: 29.5 CE :: 42.0 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.68 HA :: 3.64 HB2 :: 1.84 HB3 :: 1.65 HG2 :: 1.33 HG3 :: 1.33 HD2 :: 2.08 HD3 :: 2.08 HE2 :: 2.89 HE3 :: 2.89 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.34 I 0.17 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.0 CA :: 59.6 CB :: 29.7 CG :: 36.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.71 HA :: 4.04 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 2.44 HG3 :: 2.44 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.5 Ave N Shift Values>> N :: 120.67(3.48) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.34 K 0.2 C Shift Assignments>> C :: 178.7 CA :: 58.3 CB :: 42.1 CG :: 26.9 CD1 :: 24.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.20 HA :: 4.23 HB2 :: 1.95 HB3 :: 1.95 HG :: 1.37 HD11 :: 0.49 HD12 :: 0.49 HD13 :: 0.49 HD21 :: 0.49 HD22 :: 0.49 HD23 :: 0.49 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 121.86(3.9) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 L 0.14 A 0.01 HN Overlap>> 1.C86 1.C86 C Shift Assignments>> C :: 178.5 CA :: 58.7 CB :: 41.5 CG :: 26.3 CD1 :: 21.6 CD2 :: 21.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.56 HA :: 3.76 HB2 :: 1.93 HB3 :: 1.93 HG :: 1.13 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.64 HD22 :: 0.64 HD23 :: 0.64 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 121.86(3.9) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.18 K 0.17 E 0.17 I 0.09 C Shift Assignments>> C :: 177.8 CA :: 59.1 CB :: 28.3 CG :: 34.9 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.36 HA :: 3.81 HB2 :: 2.23 HB3 :: 2.23 HG2 :: 2.51 HG3 :: 2.51 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.1 CA :: 65.5 CB :: 69.4 CG2 :: 21.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.92 HA :: 4.30 HB :: 4.24 HG21 :: 1.35 HG22 :: 1.35 HG23 :: 1.35 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.2 Ave N Shift Values>> N :: 115.42(4.75) 1.E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 E 0.36 M 0.1 I 0.04 Q 0.01 HN Overlap>> 1.K32 1.K32 1.K60 1.K60 C Shift Assignments>> C :: 178.2(D) CA :: 58.7(D) CB :: 31.2(D) CG :: 36.7(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.69(D) HA :: 4.37(D) HB2 :: 2.27(D) HB3 :: 2.27(D) HG2 :: 2.54(D) HG3 :: 2.54(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.77 C 0.16 A 0.04 G 0.01 C Shift Assignments>> C :: 177.0(D) CA :: 53.1(D) CB :: 42.1(D) CG :: 26.7(D) CD1 :: 23.9(D) CD2 :: 23.4(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.27(D) HA :: 5.12(D) HB2 :: 1.98(D) HB3 :: 1.98(D) HG :: 1.62(D) HD11 :: 0.86(D) HD12 :: 0.86(D) HD13 :: 0.86(D) HD21 :: 0.86(D) HD22 :: 0.86(D) HD23 :: 0.86(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.3(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.75 T 0.24 C Shift Assignments>> C :: 176.8 CA :: 62.7 CB :: 65.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.13 HA :: 3.99 HB2 :: 4.16 HB3 :: 4.16 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6 Ave N Shift Values>> N :: 116.28(3.52) 1.G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.5(D) CA :: 47.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.73(D) HA2 :: 3.95(D) HA3 :: 3.95(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.5(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 F 0.26 Y 0.26 C 0.15 L 0.01 C Shift Assignments>> C :: 176.6 CA :: 60.3 CB :: 39.8 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.23 HA :: 4.40 HB2 :: 3.48 HB3 :: 2.89 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.4 Ave N Shift Values>> N :: 120.45(4.18) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 HN Overlap>> 1.T11 1.T11 C Shift Assignments>> C :: 179.1 CA :: 57.7 CB :: 40.8 CG :: 26.6 CD1 :: 22.8 CD2 :: 22.5 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.58 HA :: 3.52 HB2 :: 1.76 HB3 :: 1.76 HG :: 1.38 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4 Ave N Shift Values>> N :: 121.86(3.9) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.19 L 0.18 Y 0.14 D 0.13 C 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 177.9 CA :: 57.0 CB :: 41.4 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.92 HA :: 4.40 HB2 :: 2.78 HB3 :: 2.64 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.25 C 0.03 I 0.01 C Shift Assignments>> C :: 179.5 CA :: 54.3 CB :: 19.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.51 HA :: 4.17 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1 Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.37 C 0.28 K 0.27 M 0.03 E 0.02 C Shift Assignments>> C :: 175.7 CA :: 54.3 CB :: 27.9 CG :: 33.5 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.63 HA :: 4.32 HG2 :: 1.41(S) HG3 :: 1.41 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.42 C Shift Assignments>> C :: 176.1 CA :: 58.7 CB :: 32.0 CG :: 23.4 CD :: 29.3 CE :: 42.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.21 HA :: 3.95 HB2 :: 1.65 HB3 :: 1.65 HG2 :: 1.35 HG3 :: 1.35 HD2 :: 1.76 HD3 :: 1.76 HE2 :: 2.99 HE3 :: 2.99 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.15 F 0.09 Y 0.06 K 0.06 C 0.05 C Shift Assignments>> C :: 176.2 CA :: 53.9 CB :: 40.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.12 HA :: 4.65 HB2 :: 2.74 HB3 :: 2.53 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2 Ave N Shift Values>> N :: 120.65(3.86) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C 0.01 C Shift Assignments>> C :: 178.4 CA :: 52.1 CB :: 18.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.85 HA :: 4.34 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0 Ave N Shift Values>> N :: 123.23(3.54) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.2 Y 0.19 L 0.13 C 0.09 D 0.07 I 0.04 C Shift Assignments>> C :: 177.8 CA :: 58.0 CB :: 41.3 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.66 HA :: 4.31 HB2 :: 2.69 HB3 :: 2.69 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.6 Ave N Shift Values>> N :: 120.65(3.86) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.35 C 0.06 I 0.02 V 0.02 L 0.02 C Shift Assignments>> C :: 179.6 CA :: 55.4 CB :: 19.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.66 HA :: 4.09 HB1 :: 1.45 HB2 :: 1.45 HB3 :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 123.23(3.54) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.1 CA :: 65.6 CB :: 32.0 CG1 :: 22.7 CG2 :: 22.1 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.97 HA :: 3.52 HB :: 2.17 HG11 :: 0.78 HG12 :: 0.78 HG13 :: 0.78 HG21 :: 0.78 HG22 :: 0.78 HG23 :: 0.78 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.3 Ave N Shift Values>> N :: 121.14(4.54) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.19 F 0.18 Y 0.13 C 0.08 D 0.07 I 0.02 C Shift Assignments>> C :: 178.0 CA :: 57.7 CB :: 42.1 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.27 HA :: 4.32 HB2 :: 2.62 HB3 :: 2.62 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.5 Ave N Shift Values>> N :: 120.65(3.86) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.46 G 0.01 C Shift Assignments>> C :: 179.2 CA :: 59.9 CB :: 32.5 CG :: 25.2 CD :: 29.4 CE :: 42.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.07 HA :: 3.90 HB2 :: 1.89 HB3 :: 1.65 HG2 :: 1.47 HG3 :: 1.47 HE2 :: 2.97 HE3 :: 2.97 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V58 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>> C :: 177.5 CA :: 66.1 CB :: 32.2 CG1 :: 22.0 CG2 :: 21.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.13 HA :: 3.73 HB :: 2.17 HG11 :: 1.09 HG12 :: 1.09 HG13 :: 1.09 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.2 Ave N Shift Values>> N :: 121.14(4.54) 1.M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.25 Q 0.23 K 0.15 E 0.01 C Shift Assignments>> C :: 179.8 CA :: 57.1 CB :: 30.8 CG :: 32.7 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.03 HA :: 4.28 HB2 :: 2.62 HB3 :: 2.62 HG2 :: 2.80 HG3 :: 2.80 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.0 Ave N Shift Values>> N :: 120.09(3.57) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.48 HN Overlap>> 1.T83 1.E41 1.T83 1.E41 C Shift Assignments>> C :: 179.4 CA :: 59.4 CB :: 32.3 CG :: 25.4 CD :: 29.0 CE :: 42.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.60 HA :: 4.05 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.60 HG3 :: 1.60 HE2 :: 2.97 HE3 :: 2.97 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.16 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.1 CA :: 59.3 CB :: 29.4 CG :: 36.3 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.55 HA :: 4.05 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 2.43 HG3 :: 2.43 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 120.67(3.48) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.47 A 0.03 HN Overlap>> 1.D63 1.D63 C Shift Assignments>> C :: 177.4 CA :: 56.8 CB :: 41.2 CG :: 25.9 CD1 :: 22.6 CD2 :: 22.2 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.56 HA :: 4.05 HB2 :: 1.92 HB3 :: 1.92 HG :: 1.48 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.83 HD22 :: 0.83 HD23 :: 0.83 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.8 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.23 D 0.2 F 0.11 Y 0.08 C 0.05 N 0.02 HN Overlap>> 1.L62 1.L62 C Shift Assignments>> C :: 178.0 CA :: 55.7 CB :: 41.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.59 HA :: 4.51 HB2 :: 2.69 HB3 :: 2.69 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 120.65(3.86) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.08 K 0.05 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.4 CA :: 57.6 CB :: 30.3 CG :: 36.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.82 HA :: 4.16 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 2.35 HG3 :: 2.35 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 120.67(3.48) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.18 F 0.07 K 0.06 C 0.05 Y 0.05 HN Overlap>> 1.I13 1.I13 C Shift Assignments>> C :: 177.1 CA :: 53.3 CB :: 41.0 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.73 HA :: 4.91 HB2 :: 2.59 HB3 :: 2.59 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.65(3.86) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.1 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 174.5 CA :: 47.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.00 HA2 :: 3.91 HA3 :: 3.91 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5 Ave N Shift Values>> N :: 109.67(3.87) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.1 K 0.1 F 0.1 Y 0.07 C 0.05 C Shift Assignments>> C :: 177.3 CA :: 54.4 CB :: 41.1 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.23 HA :: 4.89 HB2 :: 2.86 HB3 :: 2.63 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> C :: 173.0 CA :: 45.3 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.21 HA2 :: 4.20 HA3 :: 3.92 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.1 Ave N Shift Values>> N :: 109.67(3.87) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.19 E 0.09 C Shift Assignments>> C :: 175.6 CA :: 55.5 CB :: 34.1 CG :: 36.0 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.53 HA :: 5.03 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 2.17 HG3 :: 2.17 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 120.67(3.48) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 174.9 CA :: 59.8 CB :: 34.6 CG1 :: 22.5 CG2 :: 20.1 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.15 HA :: 4.86 HB :: 2.38 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.2 Ave N Shift Values>> N :: 121.14(4.54) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.27 N 0.11 K 0.08 C 0.05 F 0.04 Y 0.02 G 0.02 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 175.9 CA :: 51.8 CB :: 42.1 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.36 HA :: 5.26 HB2 :: 3.39 HB3 :: 2.73 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 120.65(3.86) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.14 F 0.09 Y 0.09 C Shift Assignments>> C :: 176.4 CA :: 63.4 CB :: 39.3 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.96 HA :: 2.81 HB2 :: 2.66 HB3 :: 2.41 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.45(4.18) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.21 K 0.21 E 0.11 I 0.06 C Shift Assignments>> C :: 177.2 CA :: 59.4 CB :: 28.4 CG :: 34.4 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.06 HA :: 3.71 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.35 I 0.1 M 0.05 K 0.01 Q 0.01 C Shift Assignments>> C :: 179.2 CA :: 59.4 CB :: 30.6 CG :: 36.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.17 HA :: 3.94 HB2 :: 2.32 HB3 :: 1.96 HG2 :: 2.54 HG3 :: 2.54 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 120.67(3.48) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.23 Y 0.18 F 0.13 E 0.05 C Shift Assignments>> C :: 175.8 CA :: 60.7 CB :: 37.6 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.10 HA :: 4.10 HB2 :: 2.94 HB3 :: 2.94 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 120.52(4.2) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.3 CA :: 66.1 CB :: 30.8 CG1 :: 24.0 CG2 :: 21.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.31 HA :: 2.95 HB :: 1.52 HG11 :: 0.72 HG12 :: 0.72 HG13 :: 0.72 HG21 :: 0.58 HG22 :: 0.58 HG23 :: 0.58 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 121.14(4.54) 1.V77 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>> C :: 178.8 CA :: 66.8 CB :: 31.4 CG1 :: 22.5 CG2 :: 21.0 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.65 HA :: 3.52 HB :: 2.15 HG11 :: 1.00 HG12 :: 1.00 HG13 :: 1.00 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.14(4.54) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.46 C Shift Assignments>> C :: 179.0 CA :: 58.9 CB :: 41.4 CG :: 26.7 CD1 :: 24.0 CD2 :: 23.6 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.42 HA :: 4.13 HB2 :: 1.92 HB3 :: 1.92 HG :: 1.38 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 HN Overlap>> 1.K28 1.N93 1.K28 1.N93 C Shift Assignments>> C :: 180.3 CA :: 67.4 CB :: 31.2 CG1 :: 22.0 CG2 :: 21.0 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.18 HA :: 3.29 HB :: 1.61 HG11 :: 0.67 HG12 :: 0.67 HG13 :: 0.67 HG21 :: 0.38 HG22 :: 0.38 HG23 :: 0.38 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 121.14(4.54) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.14 I 0.09 C 0.02 C Shift Assignments>> C :: 178.7 CA :: 56.2 CB :: 17.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.17 HA :: 3.81 HB1 :: 1.33 HB2 :: 1.33 HB3 :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.1 Ave N Shift Values>> N :: 123.23(3.54) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.23 I 0.06 C 0.02 HN Overlap>> 1.S94 1.S94 C Shift Assignments>> C :: 182.1 CA :: 55.7 CB :: 17.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.86 HA :: 4.07 HB1 :: 1.58 HB2 :: 1.58 HB3 :: 1.58 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3 Ave N Shift Values>> N :: 123.23(3.54) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 G 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 177.9 CA :: 57.5 CB :: 42.1 CG :: 26.4 CD1 :: 23.6 CD2 :: 23.1 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.06 HA :: 4.09 HB2 :: 1.34 HB3 :: 1.34 HG :: 2.00 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.4 Ave N Shift Values>> N :: 121.86(3.9) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 176.9 CA :: 68.3 CB :: 69.9 CG2 :: 22.2 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.56 HA :: 3.76 HB :: 4.53 HG21 :: 1.42 HG22 :: 1.42 HG23 :: 1.42 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.6 Ave N Shift Values>> N :: 115.42(4.75) 1.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 177.7 CA :: 67.5 CB :: 31.4 CG1 :: 24.0 CG2 :: 21.3 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.42 HA :: 3.73 HB :: 2.35 HG11 :: 1.16 HG12 :: 1.16 HG13 :: 1.16 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.8 Ave N Shift Values>> N :: 121.14(4.54) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.22 I 0.05 C 0.02 C Shift Assignments>> C :: 180.0 CA :: 55.6 CB :: 17.4 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.63 HA :: 4.09 HB1 :: 1.61 HB2 :: 1.61 HB3 :: 1.61 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 123.23(3.54) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.24 C 0.12 K 0.1 I 0.1 L 0.07 D 0.03 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 175.7 CA :: 58.9 CB :: 40.9 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.56 HA :: 4.07 HB2 :: 3.16 HB3 :: 2.83 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 120.17(4.64) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.09 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 176.9 CA :: 57.7 CB :: 40.4 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.68 HA :: 4.24 HB2 :: 2.54 HB3 :: 1.75 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.2 F 0.15 N 0.15 E 0.11 D 0.05 M 0.03 I 0.03 L 0.02 C Shift Assignments>> C :: 176.8 CA :: 55.9 CB :: 37.8 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.50 HA :: 4.42 HB2 :: 2.92 HB3 :: 2.92 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.3 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 I 0.25 C 0.15 L 0.01 C Shift Assignments>> C :: 177.0 CA :: 60.0 CB :: 39.8 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.96 HA :: 4.44 HB2 :: 3.09 HB3 :: 3.09 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 120.45(4.18) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 I 0.2 C 0.14 K 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 177.2 CA :: 59.9 CB :: 40.5 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.99 HA :: 4.29 HB2 :: 2.89 HB3 :: 2.69 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.2 Ave N Shift Values>> N :: 120.45(4.18) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 C 0.18 E 0.16 H 0.13 Q 0.11 K 0.08 M 0.04 I 0.03 V 0.02 C Shift Assignments>> C :: 176.6 CA :: 58.5 CB :: 30.1 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.34 HA :: 4.56 HB2 :: 2.73 HB3 :: 2.73 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 117.9 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.09 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.2 CA :: 57.1 CB :: 30.3 CG :: 36.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.93 HA :: 4.52 HB2 :: 2.26 HB3 :: 2.26 HG2 :: 2.29 HG3 :: 2.29 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.67(3.48) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.24 F 0.08 L 0.08 C 0.08 Y 0.07 HN Overlap>> 1.V79 1.K28 1.V79 1.K28 C Shift Assignments>> C :: 174.4 CA :: 53.4 CB :: 39.4 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.24 HA :: 4.79 HB2 :: 2.83 HB3 :: 2.68 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.0 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A81 1.A81 C Shift Assignments>> C :: 178.7 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.81 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 116.28(3.52) 2.BME1 Overall Status: Residue type BME not supported. ########################################################################### Overall Results: #Consistent: 83 #Clerical: 8 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 331 #Duplicate: 32 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 522 #Duplicate: 51 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 85 #Duplicate: 8 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 Typing: Suspicious 1.M1 CG = 27.3(S), Expected = 32.01, Std = 1.2400, ChiSquare = 1.4564e-04 1.S3 C = 175.6(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.6884e-01 1.S3 CA = 57.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9200e-01 1.S3 CB = 64.9(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.5733e-01 1.S3 H = 8.68(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9779e-01 1.S3 HA = 4.73(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.3197e-01 1.S3 HB2 = 4.46(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.0341e-02 1.S3 HB3 = 4.15(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.6652e-01 1.S3 N = 116.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6019e-01 1.E4 C = 178.9(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.9786e-01 1.E4 CA = 60.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0583e-01 1.E4 CB = 29.9(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.4901e-01 1.E4 CG = 37.3(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.1731e-01 1.E4 H = 9.27(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1111e-01 1.E4 HA = 4.14(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.8847e-01 1.E4 HB2 = 2.07(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.1181e-01 1.E4 HB3 = 2.07(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.2797e-01 1.E4 HG2 = 2.38(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.0041e-01 1.E4 HG3 = 2.38(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.5458e-01 1.E4 N = 124.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7108e-01 1.L5 C = 178.3(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.0822e-01 1.L5 CA = 58.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9184e-01 1.L5 CB = 42.3(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9576e-01 1.L5 CG = 24.4(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.0492e-02 1.L5 CD1 = 23.9(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.0605e-01 1.L5 H = 8.98(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4856e-01 1.L5 HA = 4.04(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5135e-01 1.L5 HB2 = 1.61(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.0000e+00 1.L5 HB3 = 1.61(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.0259e-01 1.L5 HG = 1.58(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.3201e-01 1.L5 HD11 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L5 HD12 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L5 HD13 = 0.83(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L5 HD21 = 0.83(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L5 HD22 = 0.83(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L5 HD23 = 0.83(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L5 N = 119.6(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6226e-01 1.E6 C = 178.4(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.3268e-01 1.E6 CA = 60.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6821e-01 1.E6 CB = 30.3(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6611e-01 1.E6 CG = 37.3(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.1731e-01 1.E6 H = 8.03(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1112e-01 1.E6 HA = 3.78(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.5165e-01 1.E6 HG2 = 2.27(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0000e+00 1.E6 HG3 = 2.27(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.2757e-01 1.E6 N = 118.5(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3291e-01 1.T7 C = 177.0(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.6219e-01 1.T7 CA = 66.6(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0814e-02 1.T7 CB = 69.0(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5426e-01 1.T7 CG2 = 21.4(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.9251e-01 1.T7 H = 8.20(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4856e-01 1.T7 HA = 4.00(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.3789e-01 1.T7 HB = 4.35(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.8544e-01 1.T7 HG21 = 1.26(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T7 HG22 = 1.26(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T7 HG23 = 1.26(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T7 N = 114.5(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4642e-01 1.S20 HB3 = 2.64(S), Expected = 3.85, Std = 0.2700, ChiSquare = 7.4127e-06 1.E41 C = 178.2(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.9521e-01 1.E41 CA = 58.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0907e-01 1.E41 CB = 31.2(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8903e-01 1.E41 CG = 36.7(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.2004e-01 1.E41 H = 8.69(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4175e-01 1.E41 HA = 4.37(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6976e-01 1.E41 HB2 = 2.27(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.3386e-01 1.E41 HB3 = 2.27(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.2346e-01 1.E41 HG2 = 2.54(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.9854e-01 1.E41 HG3 = 2.54(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.8744e-01 1.E41 N = 119.6(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.5848e-01 1.L42 C = 177.0(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9597e-01 1.L42 CA = 53.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3677e-01 1.L42 CB = 42.1(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1106e-01 1.L42 CG = 26.7(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.4202e-01 1.L42 CD1 = 23.9(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.0605e-01 1.L42 CD2 = 23.4(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0220e-01 1.L42 H = 8.27(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.5093e-01 1.L42 HA = 5.12(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8731e-02 1.L42 HB2 = 1.98(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.7649e-01 1.L42 HB3 = 1.98(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.0133e-01 1.L42 HG = 1.62(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.3888e-01 1.L42 HD11 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L42 HD12 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L42 HD13 = 0.86(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9442e-01 1.L42 HD21 = 0.86(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L42 HD22 = 0.86(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L42 HD23 = 0.86(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L42 N = 118.3(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6134e-01 1.G44 C = 176.5(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6183e-01 1.G44 CA = 47.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4561e-01 1.G44 H = 8.73(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3830e-01 1.G44 HA2 = 3.95(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5689e-01 1.G44 HA3 = 3.95(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9251e-01 1.G44 N = 109.5(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6496e-01 1.Q49 HG2 = 1.41(S), Expected = 2.32, Std = 0.2700, ChiSquare = 7.5067e-04