Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.25 V 0.19 S 0.19 T 0.16 I 0.13 C 0.03 F 0.01 C Shift Assignments>> CA :: 63.338 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 HN Overlap>> 1.M384 1.M384 1.K173 1.K173 C Shift Assignments>> CA :: 55.538 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 :: 8.502 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 :: 119.024 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.218 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.207 Ave N Shift Values>> N :: 109.67(3.87) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.14 A 0.12 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.D189 1.D189 C Shift Assignments>> C :: 176.556 CA :: 54.184 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 :: 8.283 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 :: 120.742 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.18 C 0.01 C Shift Assignments>> C :: 177.886 CA :: 52.515(D) CB :: 18.295 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.248(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.052(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.16 C 0.01 HN Overlap>> 1.F43 1.F43 C Shift Assignments>> C :: 177.935 CA :: 52.273(D) CB :: 18.317 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.137(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.951(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.11 E 0.09 R 0.09 L 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 176.035 CA :: 55.262(D) CB :: 28.561 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 :: 8.145(D) 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 :: 118.653(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> CA :: 55.943 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 :: 8.293 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 :: 122.524 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 S 0.04 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.426 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 :: 8.222 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 :: 115.279 Ave N Shift Values>> N :: 115.42(4.75) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.922 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 :: 8.443 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 :: 122.874 Ave N Shift Values>> N :: 120.65(3.86) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 T 0.19 V 0.18 C 0.09 P 0.05 F 0.05 S 0.05 Y 0.04 W 0.03 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.401 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 :: 8.212 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 :: 114.424 Ave N Shift Values>> N :: 115.42(4.75) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.1 K 0.09 W 0.09 R 0.08 C 0.08 H 0.08 F 0.08 Q 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.258 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.H25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.05 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 177.216 CA :: 52.963(D) 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 :: 9.052 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 :: 123.268 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 M 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 177.964 CA :: 56.334(D) 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 :: 8.997(D) 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 :: 123.391(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.04 T 0.04 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.I97 1.I97 C Shift Assignments>> C :: 178.982 CA :: 59.380(D) 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 :: 7.996(D) 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 :: 119.995(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 H 0.07 A 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.990 CA :: 54.702(D) 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 :: 7.911(D) 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 :: 118.539(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.24 D 0.1 P 0.06 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 173.005 CA :: 51.929(D) 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 :: 9.734(D) 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 :: 113.832(D) Ave N Shift Values>> N :: 120.65(3.86) 1.H30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.1 K 0.09 R 0.09 W 0.09 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 L 0.04 S 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.166 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 :: 7.765 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 :: 114.993 Ave N Shift Values>> N :: 121.46(4.28) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.662 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 :: 8.404 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 :: 123.518 Ave N Shift Values>> N :: 115.42(4.75) 1.P38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.24 L 0.22 D 0.18 F 0.12 Y 0.08 I 0.03 C 0.03 R 0.02 N 0.02 C Shift Assignments>> C :: 178.851 CB :: 41.706 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) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.02 C 0.01 HN Overlap>> 1.R233 1.R233 1.N156 1.N156 C Shift Assignments>> C :: 177.915 CA :: 54.830 CB :: 17.402 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.928 Ave N Shift Values>> N :: 123.23(3.54) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.13 I 0.12 K 0.12 Q 0.1 R 0.1 E 0.09 H 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 179.971 CA :: 58.861 CB :: 28.230 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 :: 7.613 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 :: 116.057 Ave N Shift Values>> N :: 120.67(3.48) 1.F43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 Y 0.22 C 0.2 F 0.18 E 0.02 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 176.327 CA :: 60.466(D) CB :: 38.233 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 :: 8.233(D) 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 :: 121.980(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.61 A 0.31 I 0.04 C 0.02 C Shift Assignments>> C :: 178.782 CA :: 55.282(D) CB :: 17.702 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.417(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.536(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 C 0.26 Y 0.17 F 0.11 E 0.09 V 0.01 M 0.01 C Shift Assignments>> C :: 178.364 CA :: 60.444 CB :: 37.219 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 :: 7.998(D) 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 :: 114.512(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.679(D) CB :: 62.475 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.454(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 :: 117.131(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.29 C 0.14 I 0.09 D 0.07 L 0.06 N 0.02 C Shift Assignments>> C :: 177.728 CA :: 57.721(D) CB :: 39.629 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 :: 8.341(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 :: 123.740(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.16 Y 0.1 F 0.08 C Shift Assignments>> C :: 176.889 CA :: 62.975(D) CB :: 38.403 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 :: 8.664(D) 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 :: 118.799(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.15 I 0.15 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.06 V 0.01 M 0.01 C Shift Assignments>> C :: 179.059 CA :: 59.785(D) CB :: 28.914 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.430(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.723(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.15 L 0.12 Q 0.11 W 0.09 I 0.08 H 0.07 E 0.06 K 0.06 C Shift Assignments>> C :: 178.694 CA :: 57.755(D) CB :: 27.271 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 :: 7.531(D) 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 :: 118.095(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 D 0.13 L 0.13 C 0.11 K 0.04 I 0.04 N 0.03 HN Overlap>> 1.Q176 1.Q176 C Shift Assignments>> C :: 179.875 CA :: 57.032(D) CB :: 40.361 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 :: 7.884(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 :: 119.593(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.46 C 0.01 C Shift Assignments>> C :: 179.214 CA :: 53.418(D) CB :: 16.592 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.752(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.105(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H53 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 0.13 C 0.12 R 0.12 K 0.11 M 0.04 I 0.02 C Shift Assignments>> C :: 176.780 CA :: 57.324 CB :: 29.703 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 :: 7.542 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 :: 116.186 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 C 0.12 W 0.12 H 0.11 E 0.11 R 0.1 L 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 176.494 CA :: 56.820 CB :: 28.406 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 :: 7.612 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 :: 117.122 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.663 CA :: 57.850 CB :: 63.343 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.T58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.209 CA :: 59.970(D) CB :: 70.872 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 :: 7.554(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 :: 114.158(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 C 0.15 Y 0.08 F 0.06 D 0.06 E 0.05 M 0.04 L 0.01 C Shift Assignments>> C :: 176.268 CA :: 53.524(D) CB :: 37.534 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 :: 8.802(D) 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 :: 121.277(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 I 0.19 C 0.14 K 0.1 L 0.03 R 0.01 C Shift Assignments>> C :: 175.465 CA :: 60.465(D) CB :: 41.273 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 :: 9.109(D) 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 :: 122.907(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.28 I 0.19 C 0.14 L 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 171.047 CA :: 59.397(D) CB :: 40.027 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 :: 8.152(D) 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 :: 123.831(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.36 C 0.12 I 0.04 W 0.01 C Shift Assignments>> C :: 177.873 CA :: 64.289(D) CB :: 31.225 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.36 C 0.09 I 0.02 C Shift Assignments>> C :: 177.166 CA :: 65.531(D) CB :: 31.685 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 :: 6.332(D) 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 :: 110.587(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 S 0.2 T 0.19 I 0.14 P 0.12 C 0.02 HN Overlap>> 1.E96 1.E96 C Shift Assignments>> C :: 176.802 CA :: 65.813(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 :: 7.592(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 :: 120.487(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.12 M 0.09 H 0.07 N 0.07 Q 0.07 R 0.06 A 0.06 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.900(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.213(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.943(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.2 Y 0.15 F 0.12 E 0.01 C Shift Assignments>> C :: 177.022 CA :: 61.617(D) CB :: 37.975 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 :: 7.626(D) 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 :: 114.265(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.75 A 0.19 I 0.03 C 0.01 C Shift Assignments>> C :: 180.652 CA :: 55.062(D) CB :: 16.297 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.624(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.575(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 E 0.14 K 0.11 Q 0.11 H 0.11 R 0.1 I 0.05 M 0.02 V 0.01 C Shift Assignments>> C :: 177.547 CA :: 58.510(D) CB :: 29.495 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 :: 7.733(D) 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 :: 120.468(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.18 L 0.16 D 0.15 K 0.11 C 0.09 I 0.02 N 0.02 C Shift Assignments>> C :: 179.396 CA :: 56.815(D) CB :: 40.827 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 :: 7.607(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 :: 117.913(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.17 V 0.16 C 0.1 S 0.06 F 0.05 Y 0.05 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.D221 1.D221 C Shift Assignments>> C :: 177.495 CA :: 61.162 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.096 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 :: 113.135 Ave N Shift Values>> N :: 116.28(3.52) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.2 L 0.15 D 0.13 C 0.1 K 0.09 I 0.03 N 0.02 C Shift Assignments>> C :: 179.243 CA :: 57.046(D) CB :: 40.704 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 :: 7.762(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 :: 123.948(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.570 CA :: 44.222(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.540(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.287(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.425 CA :: 58.524(D) CB :: 73.150 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 :: 7.585(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 :: 108.986(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 N 0.24 M 0.16 E 0.15 K 0.04 Y 0.04 Q 0.03 F 0.02 C Shift Assignments>> C :: 175.870 CA :: 53.410(D) CB :: 36.008 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 :: 7.532(D) 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 :: 115.828(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.6 M 0.37 C 0.01 C Shift Assignments>> C :: 176.602 CA :: 52.774(D) CB :: 16.969 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.702(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.284(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.23 C 0.16 N 0.09 D 0.09 I 0.05 L 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 178.448 CA :: 56.488(D) CB :: 38.727 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 :: 8.761(D) 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 :: 119.284(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.48 T 0.23 I 0.16 S 0.05 C 0.03 P 0.02 C Shift Assignments>> C :: 175.188 CA :: 67.770 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.H83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 R 0.17 I 0.14 W 0.1 Q 0.09 L 0.07 K 0.07 E 0.06 H 0.06 C Shift Assignments>> C :: 176.538 CA :: 58.775(D) CB :: 27.468 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 :: 6.781(D) 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 :: 120.950(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.24 C 0.17 I 0.07 D 0.06 N 0.05 L 0.04 E 0.03 M 0.01 C Shift Assignments>> C :: 177.282 CA :: 57.021(D) CB :: 38.697 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 :: 8.604(D) 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 :: 119.691(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.14 R 0.12 H 0.11 Q 0.08 K 0.05 M 0.04 V 0.04 I 0.03 HN Overlap>> 1.M236 1.M236 C Shift Assignments>> C :: 179.942 CA :: 58.923(D) CB :: 30.488 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 :: 8.011(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 :: 117.257(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.73 C 0.17 V 0.05 Y 0.02 F 0.01 C Shift Assignments>> C :: 176.189 CA :: 65.573(D) CB :: 37.356 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 :: 7.170(D) 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 :: 116.594(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 D 0.08 L 0.08 N 0.01 K 0.01 C Shift Assignments>> C :: 179.308 CA :: 57.733(D) CB :: 39.908 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 :: 6.951(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 :: 114.889(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.13 Q 0.11 E 0.11 I 0.1 H 0.09 R 0.09 L 0.02 M 0.01 HN Overlap>> 1.S302 1.S302 C Shift Assignments>> C :: 181.716 CA :: 58.629(D) CB :: 28.414 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 :: 8.531(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 :: 117.745(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.847 CA :: 45.866(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.601(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 N 0.22 L 0.16 F 0.09 Y 0.08 C 0.06 K 0.02 C Shift Assignments>> C :: 173.740 CA :: 53.889(D) CB :: 40.385 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 :: 7.180(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 :: 118.637(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 N 0.22 E 0.2 M 0.12 Y 0.07 F 0.04 K 0.03 Q 0.01 D 0.01 C Shift Assignments>> C :: 174.734 CA :: 54.338(D) CB :: 36.476 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 :: 7.705(D) 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 :: 107.160(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.14 I 0.09 D 0.07 L 0.06 N 0.02 HN Overlap>> 1.N114 1.N114 C Shift Assignments>> C :: 174.110 CA :: 57.638(D) CB :: 39.510 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 :: 7.758(D) 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 :: 115.326(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.7 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 C Shift Assignments>> C :: 176.648 CA :: 51.408(D) CB :: 37.862 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 :: 8.556(D) 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 :: 119.854(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.22 D 0.17 C 0.12 N 0.11 L 0.1 I 0.03 C Shift Assignments>> C :: 178.504 CA :: 56.066(D) CB :: 39.513 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 :: 8.970(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 :: 125.725(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.205 CA :: 63.702(D) CB :: 68.525 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 :: 8.176(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 :: 111.177(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.1 Q 0.09 K 0.09 V 0.01 HN Overlap>> 1.T69 1.T69 C Shift Assignments>> C :: 176.256 CA :: 56.741(D) CB :: 31.008 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 :: 7.606(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 :: 120.451(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 N 0.05 I 0.05 K 0.01 HN Overlap>> 1.D27 1.D27 C Shift Assignments>> C :: 171.101 CA :: 56.820(D) CB :: 39.777 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 :: 7.951(D) 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 :: 119.969(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.29 C 0.23 P 0.18 W 0.09 R 0.04 K 0.03 E 0.03 H 0.02 I 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 176.443 CA :: 61.497(D) CB :: 31.642 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 C 0.19 W 0.14 K 0.1 E 0.08 Q 0.08 R 0.07 H 0.06 L 0.01 HN Overlap>> 1.E216 1.E216 C Shift Assignments>> C :: 177.571 CA :: 59.716(D) CB :: 28.357 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 :: 8.901(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 :: 123.553(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.34 I 0.03 C 0.02 C Shift Assignments>> C :: 180.864 CA :: 55.059(D) CB :: 17.710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.789(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.954(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 C 0.14 Q 0.13 W 0.11 K 0.11 E 0.09 H 0.09 I 0.07 L 0.06 M 0.01 C Shift Assignments>> C :: 178.816 CA :: 57.829(D) CB :: 27.899 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 :: 7.331(D) 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 :: 114.206(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 C 0.22 V 0.16 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.368 CA :: 65.136(D) CB :: 36.486 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 :: 7.373(D) 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 :: 122.867(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.13 R 0.1 H 0.09 Q 0.08 K 0.07 I 0.06 V 0.04 M 0.02 C Shift Assignments>> C :: 178.625 CA :: 59.512(D) CB :: 29.965 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 :: 7.283(D) 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 :: 115.707(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 E 0.11 I 0.11 Q 0.09 H 0.09 R 0.07 M 0.01 V 0.01 HN Overlap>> 1.Q166 1.V312 1.Q166 1.V312 C Shift Assignments>> C :: 179.355 CA :: 59.241(D) CB :: 28.967 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 :: 7.994(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 :: 117.918(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 176.651 CA :: 46.763(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.994(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.489(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.18 Y 0.14 F 0.11 C Shift Assignments>> C :: 178.299 CA :: 62.091 CB :: 38.239 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 :: 8.477 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 :: 121.888 Ave N Shift Values>> N :: 120.45(4.18) 1.Q107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.18 R 0.14 W 0.11 Q 0.08 K 0.07 E 0.07 H 0.06 L 0.04 C Shift Assignments>> C :: 179.069 CA :: 59.206(D) CB :: 27.647 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 :: 8.729(D) 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 :: 119.739(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 Q 0.12 E 0.12 H 0.09 I 0.08 R 0.07 L 0.01 M 0.01 C Shift Assignments>> C :: 179.105 CA :: 58.545(D) CB :: 28.645 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 :: 8.059(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 :: 119.659(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 L 0.11 K 0.11 C 0.11 D 0.07 I 0.06 C Shift Assignments>> C :: 178.792 CA :: 57.969(D) CB :: 40.851 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 :: 7.979(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 :: 122.151(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 C 0.11 L 0.11 D 0.08 I 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 179.485 CA :: 57.782(D) CB :: 40.510 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 :: 8.610(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 :: 118.935(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 K 0.12 E 0.12 I 0.1 Q 0.09 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 179.381 CA :: 59.259(D) CB :: 29.093 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.052(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.198(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.715 CA :: 65.653(D) CB :: 68.535 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 :: 7.814(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 :: 114.259(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.2 D 0.19 Y 0.17 L 0.16 C 0.09 K 0.06 N 0.05 I 0.02 C Shift Assignments>> C :: 177.047 CA :: 56.275(D) CB :: 40.534 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 :: 7.966(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 :: 119.820(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.14 C 0.09 Y 0.05 F 0.05 L 0.03 HN Overlap>> 1.F92 1.F92 C Shift Assignments>> C :: 174.926 CA :: 52.527(D) CB :: 38.622 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 :: 7.711(D) 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 :: 115.308(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.15 Q 0.15 R 0.15 C 0.12 H 0.12 K 0.1 W 0.08 E 0.05 M 0.02 C Shift Assignments>> C :: 175.647 CA :: 54.087(D) CB :: 27.999 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 :: 7.491(D) 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 :: 121.458(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.25 R 0.22 Q 0.12 C 0.12 H 0.07 W 0.06 K 0.05 E 0.04 I 0.01 C Shift Assignments>> C :: 173.899 CA :: 55.269(D) CB :: 27.159 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) 1.L122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.35 R 0.25 G 0.15 D 0.1 C 0.04 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.215 CA :: 54.355(D) CB :: 43.848 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 :: 8.249(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 :: 124.747(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.V347 1.V347 C Shift Assignments>> C :: 173.154 CA :: 61.190(D) CB :: 70.722 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 :: 8.769(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 :: 121.789(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L255 1.L255 C Shift Assignments>> C :: 171.605 CA :: 58.458(D) CB :: 70.633 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 :: 8.997(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 :: 120.706(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 170.127 CA :: 44.936(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.263(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.333(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.24 R 0.17 K 0.06 G 0.05 C 0.04 F 0.03 N 0.03 Y 0.02 HN Overlap>> 1.L147 1.L147 C Shift Assignments>> C :: 174.320 CA :: 52.706(D) CB :: 42.862 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 :: 8.228(D) 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 :: 115.112(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.462 CA :: 44.613(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.458(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.738(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.23 R 0.17 K 0.09 F 0.04 C 0.04 Y 0.02 N 0.02 G 0.02 C Shift Assignments>> C :: 174.134 CA :: 53.656(D) CB :: 42.695 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 :: 8.473(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 :: 125.782(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.2 D 0.17 L 0.15 C 0.1 K 0.06 N 0.04 I 0.03 HN Overlap>> 1.V195 1.V195 C Shift Assignments>> C :: 174.434 CA :: 56.607(D) CB :: 40.484 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 :: 9.415(D) 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 :: 120.594(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.19 R 0.03 C 0.03 D 0.02 F 0.01 C Shift Assignments>> C :: 175.750 CA :: 53.546(D) CB :: 45.009 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 :: 9.066(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 :: 125.989(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.313 CA :: 58.968(D) CB :: 64.341 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.159(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 :: 114.080(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 W 0.13 E 0.12 C 0.12 H 0.12 R 0.09 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.612 CA :: 57.154(D) CB :: 28.914 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 :: 8.094(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 :: 124.341(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.213 CA :: 44.786(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.236 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.911 Ave N Shift Values>> N :: 109.67(3.87) 1.L134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.24 R 0.15 K 0.11 F 0.05 C 0.04 N 0.03 Y 0.03 G 0.01 C Shift Assignments>> C :: 176.281 CA :: 53.607(D) CB :: 42.562 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 :: 7.278(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 :: 119.853(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 M 0.13 C 0.12 W 0.11 E 0.1 Q 0.1 K 0.08 C Shift Assignments>> C :: 176.815 CA :: 55.236(D) CB :: 30.981 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 :: 8.631(D) 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 :: 123.797(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 177.028 CA :: 53.829(D) CB :: 41.247 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 :: 8.937(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 :: 131.489(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.27 V 0.26 C 0.21 I 0.09 W 0.07 R 0.02 E 0.01 H 0.01 C Shift Assignments>> C :: 177.170 CA :: 62.584(D) CB :: 30.692 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 :: 8.257(D) 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 :: 124.341(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.13 I 0.09 L 0.07 D 0.06 N 0.01 K 0.01 HN Overlap>> 1.L296 1.L296 C Shift Assignments>> C :: 178.307 CA :: 57.933(D) CB :: 39.891 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 :: 8.461(D) 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 :: 129.051(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.13 R 0.12 K 0.12 H 0.09 E 0.09 M 0.09 V 0.07 Q 0.04 C Shift Assignments>> C :: 177.210 CA :: 58.761(D) CB :: 31.707 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 :: 8.379(D) 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 :: 119.159(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.35 Y 0.23 F 0.2 C 0.17 C Shift Assignments>> C :: 176.294 CA :: 60.538(D) CB :: 38.813 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 :: 6.855(D) 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 :: 117.402(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.23 D 0.13 L 0.12 C 0.11 I 0.04 N 0.03 K 0.03 C Shift Assignments>> C :: 179.796 CA :: 56.963(D) CB :: 40.158 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 :: 7.105(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 :: 115.499(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 HN Overlap>> 1.V312 1.V312 C Shift Assignments>> C :: 178.679 CA :: 58.508(D) CB :: 28.836 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 :: 8.142(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 :: 117.786(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.13 D 0.09 L 0.08 I 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 179.270 CA :: 57.484(D) CB :: 39.793 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 :: 8.542(D) 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 :: 121.412(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 I 0.29 C 0.16 P 0.15 W 0.01 C Shift Assignments>> C :: 178.156 CA :: 65.936(D) CB :: 29.931 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 :: 8.323(D) 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 :: 115.685(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.14 R 0.11 W 0.11 M 0.11 H 0.09 E 0.08 V 0.07 Q 0.04 C Shift Assignments>> C :: 178.892 CA :: 58.528(D) CB :: 32.006 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 :: 7.016(D) 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 :: 119.775(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.14 M 0.11 W 0.11 R 0.11 H 0.08 V 0.08 E 0.07 Q 0.04 C Shift Assignments>> C :: 177.899 CA :: 58.647(D) CB :: 32.183 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 :: 8.494(D) 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 :: 118.461(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.22 D 0.16 F 0.11 R 0.08 Y 0.08 C 0.05 N 0.01 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 176.962 CA :: 55.947(D) CB :: 41.914 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 :: 8.324(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 :: 115.153(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.3 Y 0.27 C 0.13 I 0.1 L 0.07 D 0.05 K 0.03 C Shift Assignments>> C :: 175.781 CA :: 58.417 CB :: 40.321 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) 1.H149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.14 Q 0.13 C 0.13 W 0.09 H 0.08 K 0.08 E 0.07 I 0.03 M 0.01 HN Overlap>> 1.N288 1.N288 C Shift Assignments>> C :: 175.089 CA :: 56.627 CB :: 27.543 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 :: 7.404 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 :: 117.960 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.874 CA :: 58.242(D) CB :: 65.387 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.021(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 :: 114.087(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.17 C 0.15 Q 0.13 R 0.09 H 0.09 W 0.05 E 0.03 C Shift Assignments>> C :: 173.187 CA :: 54.933(D) CB :: 32.823 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 :: 7.928(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 :: 119.343(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 C 0.03 G 0.02 L 0.01 HN Overlap>> 1.E162 1.E162 C Shift Assignments>> C :: 175.333 CA :: 49.356(D) CB :: 20.610 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.795(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.006(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.2 R 0.15 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 175.007 CA :: 55.944(D) CB :: 42.316 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 :: 8.698(D) 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 :: 120.110(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.835 CA :: 59.254(D) CB :: 70.026 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 :: 8.436(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 :: 113.249(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 E 0.22 M 0.09 K 0.08 Q 0.07 Y 0.06 I 0.05 V 0.04 F 0.02 H 0.01 HN Overlap>> 1.N168 1.N168 C Shift Assignments>> C :: 173.522 CA :: 58.693(D) CB :: 35.377 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 :: 8.450(D) 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 :: 117.645(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 C 0.23 M 0.06 E 0.02 Y 0.02 F 0.01 D 0.01 HN Overlap>> 1.A41 1.A41 C Shift Assignments>> C :: 176.169 CA :: 50.843(D) CB :: 36.584 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 :: 8.530(D) 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 :: 120.896(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.24 F 0.21 C 0.17 C Shift Assignments>> C :: 175.686 CA :: 60.349(D) CB :: 38.838 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 :: 8.682(D) 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 :: 124.834(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.007 CA :: 46.173(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.547(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.3 L 0.09 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.841 CA :: 51.676(D) CB :: 40.134 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 :: 6.905(D) 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 :: 119.906(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.753 CA :: 65.917(D) CB :: 68.365 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 :: 8.147(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 :: 115.561(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 K 0.12 Q 0.11 R 0.1 I 0.1 E 0.1 H 0.08 L 0.03 M 0.01 HN Overlap>> 1.L339 1.L339 C Shift Assignments>> C :: 179.422 CA :: 58.589(D) CB :: 28.213 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 :: 8.282(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 :: 120.007(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 K 0.14 W 0.13 Q 0.13 E 0.11 R 0.1 H 0.09 I 0.07 L 0.03 M 0.01 HN Overlap>> 1.A152 1.A152 C Shift Assignments>> C :: 178.780 CA :: 58.175(D) CB :: 28.362 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 :: 7.729(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 :: 121.956(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.35 I 0.03 C 0.02 C Shift Assignments>> C :: 178.974 CA :: 54.960(D) CB :: 17.672 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.518(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.438(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.14 V 0.13 R 0.1 E 0.09 H 0.07 K 0.07 M 0.05 Q 0.04 I 0.02 P 0.02 C Shift Assignments>> C :: 177.102 CA :: 59.945(D) CB :: 31.284 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 :: 7.922(D) 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 :: 116.122(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.14 R 0.12 E 0.11 H 0.1 K 0.09 V 0.07 M 0.07 Q 0.05 I 0.01 HN Overlap>> 1.K178 1.K178 C Shift Assignments>> C :: 178.414 CA :: 59.059(D) CB :: 31.264 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 :: 7.408(D) 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 :: 118.141(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 R 0.16 I 0.16 W 0.1 Q 0.09 K 0.07 E 0.06 H 0.06 L 0.06 HN Overlap>> 1.V312 1.E104 1.V312 1.E104 C Shift Assignments>> C :: 179.503 CA :: 58.941(D) CB :: 27.527 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 :: 8.107(D) 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 :: 117.921(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.62 C 0.22 V 0.1 Y 0.02 F 0.01 C Shift Assignments>> C :: 177.120 CA :: 64.780(D) CB :: 36.798 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 :: 7.820(D) 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 :: 120.041(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 C 0.23 N 0.12 Y 0.11 M 0.1 F 0.07 K 0.03 I 0.01 D 0.01 Q 0.01 HN Overlap>> 1.V155 1.V155 C Shift Assignments>> C :: 179.136 CA :: 55.484(D) CB :: 36.661 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 :: 8.384(D) 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 :: 117.586(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.24 D 0.13 C 0.11 L 0.11 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 178.191 CA :: 57.038(D) CB :: 40.127 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 :: 9.094(D) 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 :: 122.355(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 C 0.28 Y 0.15 F 0.09 E 0.09 V 0.02 M 0.01 C Shift Assignments>> C :: 178.473 CA :: 60.808(D) CB :: 36.943 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 :: 7.671(D) 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 :: 120.725(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.31 C 0.14 I 0.13 W 0.01 HN Overlap>> 1.H272 1.H272 C Shift Assignments>> C :: 178.041 CA :: 65.322(D) CB :: 30.519 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 :: 7.671(D) 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 :: 119.911(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.18 W 0.15 K 0.11 E 0.09 Q 0.08 H 0.07 R 0.05 V 0.01 L 0.01 M 0.01 HN Overlap>> 1.W248 1.W248 C Shift Assignments>> C :: 179.271 CA :: 59.809(D) CB :: 28.592 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 :: 8.647(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 :: 124.006(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.15 R 0.13 E 0.12 H 0.11 K 0.08 Q 0.06 M 0.06 V 0.05 I 0.01 HN Overlap>> 1.M384 1.Q14 1.M384 1.Q14 C Shift Assignments>> C :: 181.265 CA :: 58.800(D) CB :: 30.973 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 :: 8.457(D) 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 :: 119.021(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.847 CA :: 45.897(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.055(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.827(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.019 CA :: 60.268(D) CB :: 69.382 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 :: 7.434(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 :: 106.231(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.3 L 0.29 C 0.15 R 0.11 Q 0.04 W 0.02 H 0.02 I 0.02 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 176.379 CA :: 56.528(D) CB :: 25.442 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 :: 7.840(D) 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 :: 119.592(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.360 CA :: 44.617(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.926(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.523(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 M 0.13 K 0.13 H 0.12 W 0.11 E 0.1 Q 0.06 V 0.02 HN Overlap>> 1.K165 1.K165 C Shift Assignments>> C :: 176.906 CA :: 57.217(D) CB :: 31.644 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 :: 7.362(D) 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 :: 118.190(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 I 0.22 E 0.16 Y 0.12 F 0.07 V 0.04 M 0.02 K 0.01 C Shift Assignments>> C :: 173.468 CA :: 60.260(D) CB :: 36.411 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 :: 7.640(D) 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 :: 116.997(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 K 0.15 Q 0.14 V 0.13 M 0.1 W 0.04 R 0.04 H 0.03 E 0.02 I 0.01 C Shift Assignments>> C :: 175.492 CA :: 59.212(D) CB :: 33.741 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 :: 7.861(D) 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 :: 120.244(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.21 F 0.12 Y 0.12 C 0.1 L 0.07 C Shift Assignments>> C :: 174.893 CA :: 54.292(D) CB :: 39.134 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 :: 8.989(D) 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 :: 122.283(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 F 0.22 Y 0.17 L 0.11 C 0.09 I 0.05 R 0.05 D 0.04 C Shift Assignments>> C :: 177.203 CA :: 58.541(D) CB :: 41.638 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 :: 7.265(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 :: 118.112(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 C 0.22 P 0.21 W 0.08 R 0.03 I 0.02 K 0.02 E 0.02 H 0.02 M 0.01 C Shift Assignments>> C :: 175.570 CA :: 61.743(D) CB :: 31.528 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 :: 9.619(D) 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 :: 117.387(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K184 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E185 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.12 D 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.190 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) 1.D187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 F 0.1 Y 0.08 C 0.06 K 0.04 C Shift Assignments>> C :: 176.211 CA :: 54.244(D) CB :: 40.621 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 :: 8.417 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 :: 121.510 Ave N Shift Values>> N :: 120.65(3.86) 1.R188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 E 0.1 R 0.09 L 0.04 M 0.03 I 0.01 HN Overlap>> 1.R291 1.R291 C Shift Assignments>> C :: 175.534 CA :: 55.471(D) CB :: 28.680 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.281(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.730(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.18 N 0.17 F 0.1 Y 0.08 C 0.06 K 0.04 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 175.519 CA :: 54.134(D) CB :: 40.581 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 :: 8.281(D) 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 :: 120.733(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.825 CB :: 70.477 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 :: 7.748 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 :: 118.682 Ave N Shift Values>> N :: 115.42(4.75) 1.V191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.33 V 0.33 K 0.07 Q 0.05 M 0.04 W 0.03 P 0.03 I 0.02 R 0.02 E 0.01 H 0.01 Y 0.01 C Shift Assignments>> C :: 174.405 CA :: 60.951 CB :: 33.892 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) 1.F192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.41 D 0.21 F 0.09 Y 0.09 C 0.09 L 0.07 C Shift Assignments>> C :: 173.590 CA :: 53.735(D) CB :: 39.129 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 :: 7.022(D) 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 :: 120.965(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 C 0.05 L 0.04 G 0.02 C Shift Assignments>> C :: 173.596 CA :: 49.395(D) CB :: 21.292 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.065(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.980(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.13 C 0.03 D 0.01 C Shift Assignments>> C :: 175.308 CA :: 53.687(D) CB :: 45.736 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 :: 8.669(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 :: 123.280(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 K 0.15 V 0.14 Q 0.13 M 0.1 W 0.04 R 0.04 H 0.03 E 0.02 I 0.01 HN Overlap>> 1.L383 1.F129 1.L383 1.F129 C Shift Assignments>> C :: 172.938 CA :: 59.310(D) CB :: 33.741 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 :: 9.379(D) 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 :: 120.489(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.2 R 0.2 G 0.06 K 0.05 C 0.04 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 172.605 CA :: 53.107(D) CB :: 43.110 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 :: 9.021(D) 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 :: 124.578(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.23 K 0.12 N 0.09 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 174.110 CA :: 53.954(D) CB :: 41.407 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 :: 8.217(D) 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 :: 121.260(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.26 I 0.25 C 0.16 L 0.01 C Shift Assignments>> C :: 171.131 CA :: 59.783(D) CB :: 39.325 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 :: 8.708(D) 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 :: 118.373(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.19 K 0.16 D 0.15 F 0.08 Y 0.05 C 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 173.305 CA :: 55.491(D) CB :: 42.559 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 :: 9.283(D) 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 :: 127.220(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 G 0.24 R 0.22 C 0.06 D 0.05 F 0.04 Y 0.02 C Shift Assignments>> C :: 172.205 CA :: 55.681(D) CB :: 44.290 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 :: 8.097(D) 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 :: 125.972(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 Q 0.22 K 0.18 C 0.17 R 0.05 H 0.05 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 174.173 CA :: 55.714(D) CB :: 33.687 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 :: 7.818(D) 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 :: 127.605(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.887 CA :: 44.199(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.444(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.015(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.21 Q 0.2 K 0.13 E 0.05 H 0.03 R 0.03 N 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 175.376 CA :: 53.867(D) CB :: 34.460 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 :: 8.922(D) 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 :: 120.584(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.16 C 0.14 R 0.14 K 0.14 H 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 176.939 CA :: 56.360(D) CB :: 31.777 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 :: 8.656(D) 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 :: 124.263(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 I 0.09 H 0.09 Q 0.09 R 0.08 V 0.02 M 0.01 HN Overlap>> 1.R291 1.R291 C Shift Assignments>> C :: 176.904 CA :: 59.410(D) CB :: 29.330 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 :: 8.319(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 :: 119.840(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.23 C 0.18 H 0.13 Q 0.09 W 0.08 R 0.08 K 0.07 M 0.04 E 0.02 L 0.02 HN Overlap>> 1.K269 1.K269 C Shift Assignments>> C :: 172.869 CA :: 51.321(D) CB :: 29.139 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.293(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.862(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.43 P 0.27 C 0.19 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 176.523 CA :: 62.436(D) CB :: 32.736 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.24 D 0.14 C 0.12 L 0.11 I 0.04 N 0.04 K 0.01 C Shift Assignments>> C :: 175.035 CA :: 56.840(D) CB :: 39.922 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 :: 8.667(D) 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 :: 117.131(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.14 C 0.11 W 0.11 R 0.09 E 0.09 L 0.04 M 0.03 C Shift Assignments>> C :: 178.094 CA :: 55.072(D) CB :: 28.714 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 :: 9.650(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 :: 120.849(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.4 P 0.37 C 0.12 I 0.07 W 0.01 C Shift Assignments>> C :: 178.403 CA :: 65.102(D) CB :: 30.852 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 :: 8.695(D) 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 :: 128.537(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 E 0.14 R 0.14 H 0.13 Q 0.1 K 0.06 M 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 176.564 CA :: 57.802(D) CB :: 30.538 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 :: 8.884(D) 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 :: 118.146(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.23 K 0.12 F 0.08 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 175.516 CA :: 54.287(D) CB :: 41.363 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 :: 7.666(D) 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 :: 118.037(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.811 CA :: 62.449(D) CB :: 67.555 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 :: 7.594(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 :: 120.284(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.2 C 0.17 K 0.16 H 0.06 R 0.06 W 0.03 E 0.01 HN Overlap>> 1.V398 1.V398 C Shift Assignments>> C :: 175.283 CA :: 54.248(D) CB :: 33.528 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 :: 8.377(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 :: 126.648(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 H 0.13 E 0.13 W 0.13 K 0.12 R 0.12 C 0.11 M 0.04 I 0.01 HN Overlap>> 1.I303 1.Y254 1.I303 1.Y254 C Shift Assignments>> C :: 176.442 CA :: 56.800(D) CB :: 29.526 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 :: 8.787(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 :: 123.399(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 C 0.24 Q 0.19 K 0.13 N 0.03 H 0.03 R 0.02 Y 0.01 W 0.01 HN Overlap>> 1.E99 1.E99 C Shift Assignments>> C :: 174.621 CA :: 54.021(D) CB :: 34.755 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 :: 8.891(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 :: 123.593(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.23 K 0.15 F 0.11 Y 0.08 C 0.05 N 0.05 R 0.02 C Shift Assignments>> C :: 175.037 CA :: 55.181(D) CB :: 41.354 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 :: 8.353(D) 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 :: 118.770(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 K 0.19 D 0.17 F 0.15 Y 0.12 C 0.07 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 174.621 CA :: 56.342(D) CB :: 41.374 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 :: 9.343(D) 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 :: 121.927(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 L 0.17 Q 0.14 C 0.12 H 0.1 K 0.09 W 0.08 E 0.06 M 0.01 I 0.01 C Shift Assignments>> C :: 174.027 CA :: 55.158(D) CB :: 27.710 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 :: 8.745(D) 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 :: 129.619(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 P 0.33 C 0.09 C Shift Assignments>> C :: 176.442 CA :: 65.461(D) CB :: 32.340 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 :: 8.142(D) 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 :: 129.317(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 176.352 CA :: 53.034(D) CB :: 39.729 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 :: 8.128(D) 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 :: 113.170(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.16 R 0.13 W 0.12 Q 0.12 K 0.11 I 0.1 E 0.09 H 0.08 L 0.04 M 0.01 C Shift Assignments>> C :: 176.553 CA :: 58.387(D) CB :: 28.014 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) 1.V223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.3 C 0.27 P 0.08 W 0.08 K 0.07 R 0.04 M 0.03 H 0.03 E 0.03 Q 0.02 C Shift Assignments>> C :: 175.892 CA :: 60.829(D) CB :: 32.415 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 :: 8.263(D) 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 :: 110.836(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.330 CA :: 62.837(D) CB :: 68.942 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 :: 8.063(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 :: 121.172(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.122 CA :: 60.425(D) CB :: 70.768 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 :: 8.642(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 :: 122.939(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 Q 0.18 K 0.17 M 0.14 V 0.07 E 0.04 R 0.04 H 0.03 W 0.03 Y 0.01 C Shift Assignments>> C :: 173.951 CA :: 58.340(D) CB :: 33.939 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 :: 9.085(D) 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 :: 118.937(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.17 K 0.15 Q 0.12 H 0.1 R 0.1 W 0.05 E 0.02 C Shift Assignments>> C :: 177.014 CA :: 53.839(D) CB :: 32.758 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 :: 8.325(D) 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 :: 120.274(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Q 0.19 M 0.18 K 0.15 E 0.1 H 0.02 R 0.02 V 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 172.003 CA :: 56.850(D) CB :: 34.568 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 :: 9.037(D) 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 :: 118.249(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.24 V 0.19 I 0.18 P 0.15 W 0.1 E 0.03 R 0.02 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> C :: 174.576 CA :: 62.357(D) CB :: 30.138 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.18 K 0.14 Q 0.11 H 0.1 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 174.340 CA :: 53.311(D) CB :: 32.737 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 :: 8.736(D) 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 :: 127.254(D) Ave N Shift Values>> N :: 120.09(3.57) 1.M231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.13 M 0.12 W 0.11 Q 0.11 E 0.09 K 0.07 C Shift Assignments>> C :: 175.807 CA :: 54.371(D) CB :: 30.829 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 :: 8.630(D) 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 :: 127.012(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.2 M 0.19 N 0.09 K 0.07 Q 0.07 Y 0.04 F 0.02 H 0.01 C Shift Assignments>> C :: 176.366 CA :: 54.517(D) CB :: 35.716 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 :: 8.589(D) 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 :: 119.289(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Q 0.2 M 0.18 K 0.16 E 0.07 H 0.03 R 0.03 V 0.02 W 0.02 Y 0.01 HN Overlap>> 1.A41 1.A41 C Shift Assignments>> C :: 172.699 CA :: 56.975(D) CB :: 34.335 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.377(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.853(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 176.527 CA :: 53.432(D) CB :: 41.565 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 :: 8.551(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 :: 129.319(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 170.046 CA :: 45.028(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.589(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.742(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 H 0.17 M 0.15 R 0.15 W 0.09 Q 0.08 K 0.06 E 0.05 P 0.04 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 176.095 CA :: 52.600(D) CB :: 31.050 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 :: 7.987(D) 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 :: 117.317(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.26 F 0.08 K 0.06 D 0.06 C 0.06 Y 0.05 G 0.05 C Shift Assignments>> C :: 174.829 CA :: 56.798(D) CB :: 43.379 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 :: 9.249(D) 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 :: 120.751(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.42 C 0.25 M 0.12 E 0.07 Y 0.03 K 0.02 F 0.02 Q 0.01 D 0.01 C Shift Assignments>> C :: 171.909 CA :: 52.058(D) CB :: 36.155 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.I239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.09 D 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 172.676 CA :: 57.846(D) CB :: 41.134 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 :: 7.566(D) 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 :: 122.269(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 H 0.15 R 0.14 C 0.14 K 0.11 W 0.09 Q 0.06 E 0.06 C Shift Assignments>> C :: 172.289 CA :: 54.021(D) CB :: 31.609 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 :: 8.527(D) 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 :: 120.164(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 W 0.13 H 0.13 E 0.13 C 0.11 R 0.1 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 173.939 CA :: 56.800 CB :: 29.114 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 :: 8.820 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 :: 124.621 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 E 0.13 K 0.12 Q 0.1 H 0.1 R 0.09 I 0.08 M 0.02 V 0.01 C Shift Assignments>> C :: 176.616 CA :: 58.919 CB :: 29.186 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.191 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 :: 131.190 Ave N Shift Values>> N :: 120.17(4.64) 1.K243 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K244 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.31 L 0.2 N 0.12 F 0.11 Y 0.08 K 0.07 C 0.06 C Shift Assignments>> C :: 176.146 CA :: 54.507 CB :: 40.853 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) 1.S246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.078 CA :: 58.239 CB :: 62.564 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.901 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 :: 117.104 Ave N Shift Values>> N :: 116.28(3.52) 1.S247 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 173.644 CA :: 57.181 CB :: 69.030(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.014 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 :: 108.054 Ave N Shift Values>> N :: 116.28(3.52) 1.W248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.E172 1.E172 C Shift Assignments>> C :: 176.408 CA :: 58.503 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 :: 8.604 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 :: 124.013 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V249 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.21 V 0.19 C 0.07 P 0.07 F 0.04 S 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.701(D) 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 :: 9.447(D) 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 :: 123.326(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L250 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 173.716 CA :: 52.511(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 :: 9.058(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 :: 130.059(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L251 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 L 0.11 M 0.09 N 0.08 H 0.07 A 0.06 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> C :: 176.603 CA :: 54.780(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 :: 8.934(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 :: 127.667(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M252 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 C 0.16 Y 0.12 F 0.09 D 0.08 E 0.06 M 0.03 L 0.02 I 0.01 HN Overlap>> 1.Y307 1.Y307 C Shift Assignments>> C :: 174.076 CA :: 54.310(D) CB :: 37.833 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 :: 9.453(D) 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 :: 121.695(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K253 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 C 0.18 M 0.17 Q 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.03 HN Overlap>> 1.Y254 1.Y254 C Shift Assignments>> C :: 177.643 CA :: 57.041(D) CB :: 33.110 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 :: 8.867(D) 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 :: 123.274(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y254 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.12 D 0.04 L 0.03 N 0.01 E 0.01 HN Overlap>> 1.K253 1.K253 1.E215 1.E215 C Shift Assignments>> C :: 176.978 CA :: 57.992(D) CB :: 39.013 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 :: 8.840(D) 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 :: 123.311(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L255 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 F 0.18 L 0.17 Y 0.15 C 0.08 N 0.07 K 0.05 I 0.01 HN Overlap>> 1.T124 1.T124 C Shift Assignments>> C :: 177.485 CA :: 55.739(D) CB :: 40.514 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 :: 9.016(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 :: 120.727(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G256 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.61 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.395 CA :: 44.700(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.589(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.610(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N257 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 N 0.18 M 0.18 E 0.17 K 0.05 Q 0.04 Y 0.04 F 0.02 C Shift Assignments>> C :: 174.260 CA :: 53.791(D) CB :: 35.897 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 :: 8.395(D) 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 :: 113.524(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A258 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 L 0.14 C 0.06 C Shift Assignments>> C :: 175.379 CA :: 51.344(D) CB :: 21.582 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.589(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.243(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T259 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.136 CA :: 62.299(D) CB :: 72.047 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 :: 9.005(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 :: 117.692(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A260 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 L 0.08 C 0.05 C Shift Assignments>> C :: 176.882 CA :: 50.650(D) CB :: 21.408 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.382(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.304(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I261 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 176.021 CA :: 59.477(D) 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 :: 9.045(D) 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 :: 121.690(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> CA :: 55.875 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 :: 9.483 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 :: 123.841 Ave N Shift Values>> N :: 120.45(4.18) 1.F263 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> C :: 174.690 CA :: 55.813(D) 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 :: 9.897(D) 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 :: 118.562(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L264 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> CA :: 49.978(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 :: 9.316(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 :: 125.782(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P265 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D266 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.22 C 0.22 W 0.06 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 I 0.01 C Shift Assignments>> CA :: 61.774 CB :: 32.078 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) 1.G268 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 176.666 CA :: 45.593(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.K269 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.14 M 0.13 W 0.11 Q 0.11 E 0.08 K 0.06 HN Overlap>> 1.R206 1.R206 C Shift Assignments>> C :: 176.213 CA :: 53.757(D) CB :: 30.756 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 :: 8.252(D) 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 :: 116.923(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L270 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.28 I 0.23 C 0.15 L 0.02 D 0.01 C Shift Assignments>> C :: 177.143 CA :: 59.727(D) CB :: 39.662 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 :: 8.474(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 :: 123.623(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q271 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 R 0.19 I 0.19 W 0.09 L 0.08 Q 0.07 H 0.05 E 0.04 K 0.03 C Shift Assignments>> C :: 178.022 CA :: 59.099(D) CB :: 27.010 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 :: 8.300(D) 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 :: 116.184(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H272 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.17 E 0.12 R 0.1 H 0.09 I 0.06 Q 0.06 V 0.06 K 0.05 M 0.02 HN Overlap>> 1.V171 1.V171 C Shift Assignments>> C :: 176.041 CA :: 59.851(D) CB :: 30.189 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 :: 7.709(D) 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 :: 119.932(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L273 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.13 L 0.04 D 0.04 N 0.01 C Shift Assignments>> C :: 177.762 CA :: 58.335 CB :: 39.536 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 :: 8.161 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 :: 119.772 Ave N Shift Values>> N :: 121.86(3.9) 1.E274 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.12 K 0.11 I 0.1 Q 0.09 H 0.09 R 0.08 M 0.01 V 0.01 C Shift Assignments>> C :: 178.696 CA :: 59.324(D) CB :: 29.225 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 :: 8.145 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 :: 113.585 Ave N Shift Values>> N :: 120.67(3.48) 1.N275 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.15 Y 0.14 F 0.12 C 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 176.668 CA :: 54.573(D) CB :: 38.647 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 :: 8.098(D) 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 :: 115.408(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E276 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.14 Q 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.07 C Shift Assignments>> C :: 176.854 CA :: 55.489(D) CB :: 30.016 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 :: 7.764(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 :: 116.913(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.19 F 0.16 Y 0.12 D 0.12 C 0.07 R 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 175.079 CA :: 56.917 CB :: 41.678 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 :: 6.704 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 :: 117.102 Ave N Shift Values>> N :: 121.86(3.9) 1.T278 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.369 CA :: 58.778(D) CB :: 72.767 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 :: 6.296(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 :: 108.821(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H279 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.1 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 177.432 CA :: 59.800 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 :: 9.550 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 :: 121.882 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D280 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 N 0.04 K 0.02 C Shift Assignments>> C :: 178.436 CA :: 56.833 CB :: 40.069 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 :: 8.410 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 :: 118.092 Ave N Shift Values>> N :: 120.65(3.86) 1.I281 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.18 Y 0.05 F 0.04 V 0.02 C Shift Assignments>> C :: 177.493 CA :: 64.034 CB :: 37.609 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 :: 7.501 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 :: 119.572 Ave N Shift Values>> N :: 121.46(4.28) 1.I282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.36 C 0.29 I 0.27 Y 0.02 P 0.01 F 0.01 C Shift Assignments>> C :: 177.941 CA :: 63.817 CB :: 35.470 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 :: 7.459 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 :: 118.718 Ave N Shift Values>> N :: 121.46(4.28) 1.T283 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.469 CA :: 66.185 CB :: 67.887 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 :: 8.283 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 :: 112.918 Ave N Shift Values>> N :: 115.42(4.75) 1.K284 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.05 M 0.05 V 0.02 I 0.02 C Shift Assignments>> C :: 180.335 CA :: 58.471 CB :: 30.369 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 :: 7.312 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 :: 120.482 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F285 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.23 Y 0.2 F 0.14 E 0.05 C Shift Assignments>> C :: 178.656 CA :: 60.459 CB :: 37.634 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 :: 7.599 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 :: 117.792 Ave N Shift Values>> N :: 120.45(4.18) 1.L286 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 D 0.16 Y 0.15 K 0.14 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> C :: 178.322 CA :: 56.584 CB :: 41.003 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 :: 7.949 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 :: 116.938 Ave N Shift Values>> N :: 121.86(3.9) 1.E287 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 E 0.13 W 0.13 K 0.12 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.245 CA :: 56.332(D) CB :: 29.558 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 :: 7.431(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 :: 115.742(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N288 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.26 L 0.09 F 0.08 Y 0.08 C 0.07 HN Overlap>> 1.H149 1.H149 C Shift Assignments>> C :: 175.452 CA :: 53.516(D) CB :: 39.560 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 :: 7.371(D) 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 :: 117.940(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E289 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.07 C Shift Assignments>> C :: 176.199 CA :: 55.456(D) CB :: 29.978 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) 1.D290 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.21 F 0.12 N 0.09 Y 0.09 K 0.09 C 0.06 C Shift Assignments>> C :: 175.670 CA :: 54.835(D) CB :: 40.911 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 :: 7.851(D) 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 :: 122.551(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R291 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.16 Q 0.15 H 0.09 R 0.08 W 0.04 E 0.02 HN Overlap>> 1.E205 1.R188 1.E205 1.R188 C Shift Assignments>> C :: 175.357 CA :: 54.247(D) CB :: 32.980 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.363(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.787(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R292 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.16 K 0.15 H 0.12 R 0.12 Q 0.08 W 0.06 E 0.04 C Shift Assignments>> C :: 174.755 CA :: 54.226(D) CB :: 32.406 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.246(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.041(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S293 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.876 CA :: 57.689(D) CB :: 64.477 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.594(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 :: 117.357(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A294 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 L 0.05 C 0.04 M 0.01 C Shift Assignments>> C :: 174.860 CA :: 52.023(D) CB :: 20.757 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.137(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.529(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S295 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.869 CA :: 56.249(D) CB :: 62.846 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.527(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 :: 114.969(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L296 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.3 R 0.13 D 0.07 C 0.04 F 0.02 Y 0.01 HN Overlap>> 1.D138 1.D138 C Shift Assignments>> C :: 176.016 CA :: 53.531(D) CB :: 44.320 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 :: 8.503(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 :: 129.106(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H297 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 M 0.16 C 0.15 R 0.15 W 0.1 Q 0.09 K 0.07 E 0.06 C Shift Assignments>> C :: 173.274 CA :: 53.241(D) CB :: 31.036 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 :: 8.300(D) 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 :: 124.447(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L298 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.96 L 0.02 C 0.01 C Shift Assignments>> C :: 172.808 CA :: 51.038(D) CB :: 46.163 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 :: 8.984(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 :: 128.093(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P299 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.4 V 0.31 C 0.15 I 0.07 W 0.03 C Shift Assignments>> C :: 174.772 CA :: 63.619(D) CB :: 30.873 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K300 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.16 C 0.15 R 0.12 H 0.11 W 0.08 Q 0.07 E 0.06 V 0.01 HN Overlap>> 1.T306 1.T306 C Shift Assignments>> C :: 176.280 CA :: 55.730(D) CB :: 32.251 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 :: 7.774(D) 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 :: 119.374(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L301 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.31 R 0.13 D 0.06 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.276 CA :: 54.142(D) CB :: 44.478 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 :: 7.921(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 :: 120.526(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S302 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 173.077 CA :: 57.365(D) CB :: 64.143 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.532(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 :: 117.849(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I303 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.25 C 0.12 I 0.11 K 0.08 L 0.07 D 0.03 HN Overlap>> 1.E215 1.E215 C Shift Assignments>> C :: 172.390 CA :: 58.921(D) CB :: 40.773 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 :: 8.757(D) 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 :: 123.405(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T304 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.510 CA :: 59.514(D) CB :: 71.744 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 :: 8.115(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 :: 116.711(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G305 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 171.968 CA :: 44.951(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.340(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.706(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T306 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K300 1.K300 C Shift Assignments>> C :: 173.612 CA :: 61.093(D) CB :: 69.771 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 :: 7.789(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 :: 119.343(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y307 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.19 R 0.15 F 0.13 Y 0.09 D 0.08 C 0.06 I 0.01 HN Overlap>> 1.M252 1.M252 C Shift Assignments>> C :: 174.293 CA :: 57.278(D) CB :: 42.286 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 :: 9.420(D) 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 :: 121.643(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D308 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L309 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K310 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S311 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.620 CA :: 60.223(D) CB :: 62.674 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.V312 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.41 C 0.1 I 0.02 W 0.01 HN Overlap>> 1.Q166 1.Q166 1.E142 1.E104 1.E142 1.E104 C Shift Assignments>> C :: 177.598 CA :: 65.083(D) CB :: 31.525 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 :: 8.047(D) 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 :: 117.847(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L313 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Y 0.21 E 0.16 F 0.15 N 0.09 I 0.04 M 0.04 D 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 180.411 CA :: 56.422(D) CB :: 37.543 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 :: 8.319(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 :: 115.539(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G314 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 177.741 CA :: 47.389(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.429(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.633(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q315 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 Q 0.13 C 0.13 L 0.13 W 0.09 K 0.08 H 0.08 E 0.07 I 0.04 M 0.01 C Shift Assignments>> C :: 176.670 CA :: 56.950(D) CB :: 27.558 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 :: 7.245(D) 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 :: 119.231(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L316 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.509 CA :: 54.404(D) CB :: 41.137 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 :: 7.117(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 :: 118.251(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G317 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.120 CA :: 44.798(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.430(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.355(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I318 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 I 0.28 V 0.1 E 0.09 Y 0.08 F 0.04 K 0.01 M 0.01 C Shift Assignments>> C :: 173.665 CA :: 61.446(D) CB :: 36.078 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 :: 7.895(D) 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 :: 120.980(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T319 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.594 CA :: 62.263(D) CB :: 70.876 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 :: 8.723(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 :: 115.457(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K320 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.25 V 0.21 W 0.12 P 0.1 R 0.06 E 0.05 H 0.04 K 0.04 I 0.04 M 0.02 Q 0.02 C Shift Assignments>> C :: 181.450 CA :: 61.050 CB :: 31.182 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) 1.V321 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.35 V 0.29 C 0.17 I 0.08 W 0.05 R 0.01 E 0.01 C Shift Assignments>> C :: 172.032 CA :: 63.126(D) CB :: 30.812 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 :: 8.479(D) 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 :: 116.058(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F322 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.23 D 0.15 L 0.12 C 0.11 N 0.04 I 0.04 K 0.02 C Shift Assignments>> C :: 175.631 CA :: 56.782(D) CB :: 40.111 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 :: 6.916(D) 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 :: 115.397(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S323 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.8 T 0.19 HN Overlap>> 1.I370 1.I370 C Shift Assignments>> C :: 172.699 CA :: 57.441(D) CB :: 66.663 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.077(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 :: 116.449(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N324 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.786 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.G325 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.716 CA :: 44.259 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.093 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.759 Ave N Shift Values>> N :: 109.67(3.87) 1.A326 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.06 C 0.03 L 0.03 C Shift Assignments>> C :: 177.061 CA :: 53.116(D) CB :: 20.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.560(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.380(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D327 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 D 0.24 C 0.07 L 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.684 CA :: 52.692(D) CB :: 39.419 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 :: 8.394(D) 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 :: 120.659(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L328 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 N 0.18 L 0.17 F 0.1 Y 0.08 C 0.06 K 0.04 HN Overlap>> 1.L393 1.L393 C Shift Assignments>> C :: 178.512 CA :: 54.038(D) CB :: 40.575 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 :: 8.531(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 :: 127.972(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S329 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.139 CA :: 60.614(D) CB :: 62.647 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.610(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 :: 114.677(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G330 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.564 CA :: 45.103(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.278(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.822(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V331 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.33 C 0.13 I 0.03 W 0.02 C Shift Assignments>> C :: 175.618 CA :: 63.555(D) CB :: 31.375 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 :: 7.703(D) 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 :: 118.833(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T332 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.872 CA :: 59.843(D) CB :: 69.509 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 :: 7.111(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 :: 109.398(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E333 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.07 C Shift Assignments>> C :: 177.612 CA :: 56.311(D) CB :: 30.197 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 :: 9.135(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 :: 125.276(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E334 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.15 H 0.13 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 175.227 CA :: 57.506(D) CB :: 30.139 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 :: 8.142(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 :: 117.623(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A335 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 M 0.02 C 0.01 C Shift Assignments>> C :: 173.974 CA :: 49.752(D) CB :: 19.472 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.368(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.638(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P336 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.25 C 0.21 W 0.08 I 0.07 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 174.896 CA :: 62.296(D) CB :: 30.864 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L337 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.51 L 0.27 R 0.08 C 0.04 D 0.04 F 0.01 C Shift Assignments>> C :: 173.287 CA :: 54.154(D) CB :: 44.739 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 :: 8.165(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 :: 122.463(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K338 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 C 0.22 Q 0.18 K 0.12 E 0.07 N 0.03 H 0.03 R 0.02 W 0.01 Y 0.01 C Shift Assignments>> C :: 173.393 CA :: 53.837(D) CB :: 34.664 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 :: 6.830(D) 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 :: 115.695(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L339 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.19 N 0.16 F 0.09 Y 0.06 K 0.06 C 0.05 HN Overlap>> 1.E161 1.E161 C Shift Assignments>> C :: 175.216 CA :: 53.852(D) CB :: 40.822 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 :: 8.308(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 :: 120.003(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S340 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.795 CA :: 60.839(D) CB :: 63.980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.412(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 :: 122.386(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K341 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.23 Q 0.14 E 0.11 K 0.1 N 0.05 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.557 CA :: 54.041(D) CB :: 35.090 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 :: 7.291(D) 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 :: 118.350(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A342 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 L 0.12 C 0.07 C Shift Assignments>> C :: 174.661 CA :: 50.468(D) CB :: 21.736 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.708(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.770(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V343 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.19 I 0.15 Y 0.09 V 0.06 F 0.05 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> C :: 173.688 CA :: 59.964(D) CB :: 35.940 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 :: 8.578(D) 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 :: 122.282(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H344 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.19 Q 0.17 K 0.14 H 0.07 R 0.07 W 0.03 E 0.01 C Shift Assignments>> C :: 173.187 CA :: 53.336(D) CB :: 33.298 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 :: 8.980(D) 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 :: 124.255(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K345 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 E 0.23 M 0.16 N 0.12 Y 0.06 K 0.05 Q 0.04 F 0.03 C Shift Assignments>> C :: 172.167 CA :: 54.652(D) CB :: 36.028 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 :: 8.447(D) 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 :: 126.905(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A346 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.68 L 0.15 C 0.12 G 0.03 C Shift Assignments>> C :: 176.700 CA :: 49.466(D) CB :: 22.214 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.022(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.298(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V347 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.18 I 0.18 E 0.08 Y 0.05 K 0.02 F 0.02 M 0.02 Q 0.01 HN Overlap>> 1.T123 1.T123 C Shift Assignments>> C :: 172.813 CA :: 61.317(D) CB :: 35.447 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 :: 8.760(D) 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 :: 121.860(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L348 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.12 C 0.02 D 0.01 R 0.01 C Shift Assignments>> C :: 175.031 CA :: 53.131(D) CB :: 45.277 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 :: 8.486(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 :: 127.050(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T349 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.106 CA :: 61.189(D) CB :: 71.085 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 :: 7.619(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 :: 119.445(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I350 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 C Shift Assignments>> C :: 174.382 CA :: 60.815(D) CB :: 39.867 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 :: 9.203(D) 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 :: 126.168(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D351 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.2 N 0.18 K 0.06 F 0.06 C 0.05 Y 0.04 HN Overlap>> 1.A365 1.A365 C Shift Assignments>> C :: 175.255 CA :: 53.011(D) CB :: 41.120 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 :: 8.270(D) 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 :: 126.151(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E352 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.14 E 0.1 K 0.09 H 0.07 R 0.07 Q 0.07 V 0.02 M 0.01 C Shift Assignments>> C :: 178.752 CA :: 59.965(D) CB :: 29.295 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 :: 9.772(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 :: 115.945(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K353 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 K 0.18 M 0.14 Q 0.13 R 0.07 W 0.06 H 0.06 V 0.06 E 0.04 C Shift Assignments>> C :: 177.315 CA :: 58.126(D) CB :: 33.032 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 :: 7.629(D) 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 :: 112.182(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G354 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.819 CA :: 45.852(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.504(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.524(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T355 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.858 CA :: 61.952(D) CB :: 69.374 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 :: 8.016(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 :: 115.883(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E356 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.434 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) 1.A357 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.1 P 0.06 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 51.938 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.367 Ave N Shift Values>> N :: 123.23(3.54) 1.A358 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> CA :: 52.499 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.464 Ave N Shift Values>> N :: 123.23(3.54) 1.G359 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.906 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.377 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.825 Ave N Shift Values>> N :: 109.67(3.87) 1.A360 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.11 L 0.05 M 0.04 P 0.03 C 0.03 H 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.145 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.379 Ave N Shift Values>> N :: 123.23(3.54) 1.M361 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 0.12 M 0.09 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 175.776 CA :: 55.010(D) 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 :: 8.194 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 :: 119.068 Ave N Shift Values>> N :: 120.09(3.57) 1.F362 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.25 C 0.16 D 0.08 I 0.07 N 0.05 L 0.05 E 0.01 C Shift Assignments>> C :: 175.004 CA :: 56.980(D) CB :: 38.967 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 :: 8.174(D) 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 :: 121.427(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L363 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.496 CA :: 54.398(D) CB :: 41.442 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 :: 8.110(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 :: 124.473(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E364 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.12 E 0.12 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 175.392 CA :: 55.466(D) CB :: 30.209 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 :: 8.266(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 :: 122.962(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A365 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 M 0.12 C 0.01 HN Overlap>> 1.D351 1.D351 C Shift Assignments>> C :: 176.996 CA :: 51.556(D) CB :: 18.273 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.316(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.071(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I366 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 C 0.23 F 0.18 E 0.13 I 0.12 M 0.02 N 0.01 D 0.01 C Shift Assignments>> CA :: 57.989(D) CB :: 37.699 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 :: 8.162(D) 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 :: 121.692(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P367 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.15 W 0.14 C 0.14 Q 0.13 E 0.12 H 0.11 R 0.08 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 176.075 CA :: 58.024(S) CB :: 28.857 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M368 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 175.831 CA :: 52.972(D) CB :: 38.896 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 :: 8.379(D) 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 :: 116.724(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S369 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.679 CA :: 65.325(D) CB :: 68.837(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.213(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 :: 117.407(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I370 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.14 C 0.1 S 0.07 F 0.06 Y 0.06 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.S323 1.S323 C Shift Assignments>> C :: 174.341 CA :: 60.946 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 :: 8.030 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 :: 116.474 Ave N Shift Values>> N :: 121.46(4.28) 1.P371 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P372 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.28 P 0.26 C 0.21 W 0.08 I 0.05 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 175.195 CA :: 62.176(D) CB :: 31.071 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E373 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.14 C 0.12 W 0.12 E 0.1 M 0.08 K 0.08 C Shift Assignments>> C :: 175.580 CA :: 54.636(D) CB :: 30.089 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 :: 8.262(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 :: 121.516(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V374 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.25 C 0.24 P 0.15 W 0.11 R 0.04 E 0.04 I 0.04 H 0.03 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> C :: 173.322 CA :: 61.402(D) CB :: 31.255 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 :: 8.535(D) 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 :: 128.178(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K375 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.17 Q 0.16 K 0.16 H 0.08 R 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 174.993 CA :: 54.148(D) CB :: 33.110 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 :: 8.207(D) 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 :: 123.319(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F376 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.29 C 0.24 M 0.15 Y 0.07 K 0.07 Q 0.05 F 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 173.725 CA :: 56.130(D) CB :: 35.892 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 :: 8.786(D) 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 :: 126.520(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N377 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 C 0.14 D 0.05 Y 0.02 F 0.02 M 0.01 C Shift Assignments>> C :: 172.022 CA :: 50.217(D) CB :: 37.710 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 :: 7.774(D) 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 :: 118.379(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K378 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 C 0.16 R 0.16 M 0.13 W 0.11 Q 0.1 E 0.06 K 0.06 C Shift Assignments>> CA :: 53.057(D) CB :: 30.709 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 :: 7.413(D) 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 :: 117.388(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P379 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.25 V 0.23 T 0.17 P 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 175.111 CA :: 65.005(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.F380 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.08 N 0.07 Q 0.07 R 0.06 K 0.05 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.956(D) 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 :: 7.769(D) 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 :: 113.825(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V381 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.16 T 0.12 C 0.12 V 0.11 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 174.218 CA :: 60.508 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 :: 8.573 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 :: 121.087 Ave N Shift Values>> N :: 121.14(4.54) 1.F382 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 172.403 CA :: 56.017(D) 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 :: 9.357(D) 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 :: 123.841(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L383 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.13 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.V195 1.V195 C Shift Assignments>> CA :: 54.296 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 :: 9.277 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 :: 120.536 Ave N Shift Values>> N :: 121.86(3.9) 1.M384 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.23 E 0.13 Q 0.13 K 0.1 N 0.06 Y 0.02 H 0.01 R 0.01 F 0.01 HN Overlap>> 1.Q14 1.K173 1.Q14 1.K173 C Shift Assignments>> C :: 174.802 CA :: 54.174(D) CB :: 35.202 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 :: 8.419 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 :: 119.037 Ave N Shift Values>> N :: 120.09(3.57) 1.I385 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.26 C 0.14 D 0.11 L 0.08 N 0.06 I 0.05 C Shift Assignments>> C :: 175.252 CA :: 56.806(D) CB :: 39.434 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 :: 9.399(D) 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 :: 124.135(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E386 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.14 H 0.14 E 0.13 W 0.13 R 0.12 K 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 177.224 CA :: 56.617(D) CB :: 29.620 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 :: 8.665(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 :: 128.959(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q387 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.15 K 0.12 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.07 M 0.01 V 0.01 C Shift Assignments>> C :: 176.901 CA :: 59.247(D) CB :: 28.845 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 :: 8.427(D) 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 :: 126.367(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N388 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.21 C 0.2 I 0.07 E 0.07 N 0.06 D 0.04 L 0.02 M 0.02 C Shift Assignments>> C :: 177.708 CA :: 56.963(D) CB :: 38.220 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 :: 8.968(D) 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 :: 116.600(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T389 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.961 CA :: 62.249 CB :: 71.824 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 :: 9.938 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 :: 109.405 Ave N Shift Values>> N :: 115.42(4.75) 1.K390 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 Q 0.16 C 0.15 W 0.12 H 0.11 E 0.1 L 0.09 I 0.05 M 0.01 C Shift Assignments>> C :: 174.873 CA :: 57.219(D) CB :: 27.930 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 :: 8.065(D) 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 :: 117.148(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S391 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.034 CA :: 57.523(D) CB :: 63.912 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.815(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 :: 112.539(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P392 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.21 T 0.16 V 0.15 C 0.1 S 0.06 F 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.029 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.L393 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 HN Overlap>> 1.L328 1.L328 C Shift Assignments>> CA :: 56.698(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 :: 8.460(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 :: 127.942(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F394 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 173.792 CA :: 56.217(D) 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 :: 7.631(D) 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 :: 108.249(D) Ave N Shift Values>> N :: 120.45(4.18) 1.M395 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.09 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.022(D) 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 :: 8.149(D) 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 :: 119.282(D) Ave N Shift Values>> N :: 120.09(3.57) 1.G396 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.811(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.512(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.125(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K397 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.531(D) 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 :: 9.581(D) 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 :: 120.209(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V398 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 W 0.16 V 0.13 E 0.08 R 0.07 I 0.07 H 0.06 P 0.04 Q 0.03 K 0.03 M 0.02 HN Overlap>> 1.E214 1.E214 C Shift Assignments>> CA :: 60.710(D) CB :: 30.562 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 :: 8.429(D) 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 :: 126.658(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V399 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 P 0.29 C 0.19 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 I 0.01 C Shift Assignments>> C :: 174.362 CA :: 62.210(D) CB :: 32.159 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 :: 8.576(D) 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 :: 122.578(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N400 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.62 C 0.12 D 0.12 G 0.06 L 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.003 CA :: 49.061(D) CB :: 39.068 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 :: 8.109(D) 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 :: 108.685(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P401 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.33 C 0.15 W 0.03 I 0.03 C Shift Assignments>> C :: 175.416 CA :: 63.177 CB :: 31.433 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T402 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.118 CA :: 61.092(D) CB :: 69.150 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 :: 7.767(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 :: 106.951(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q403 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 174.957 CA :: 56.011(D) CB :: 29.091 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 :: 7.301(D) 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 :: 123.275(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K404 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.18 M 0.15 R 0.1 H 0.09 Q 0.09 W 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 181.597 CA :: 57.460(D) CB :: 32.528 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 :: 8.237(D) 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 :: 130.859(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 303 #Suspicious: 1 #Anomalous: 0 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 359 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 43 Shift Relative Order (SRO) Results: #Consistent: 404 #Suspicious: 0 C Shift Results: #Consistent: 677 #Duplicate: 303 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 48 #Duplicate: 284 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 48 #Duplicate: 284 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A17 CA = 52.515(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5226e-01 1.A17 H = 8.248(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3624e-01 1.A17 N = 124.052(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1638e-01 1.A18 CA = 52.273(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6147e-01 1.A18 H = 8.137(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1638e-01 1.A18 N = 121.951(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1788e-01 1.Q19 CA = 55.262(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4106e-01 1.Q19 H = 8.145(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9885e-01 1.Q19 N = 118.653(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3114e-01 1.H25 CA = 52.963(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.2360e-01 1.H26 CA = 56.334(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.3582e-01 1.H26 H = 8.997(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.6561e-01 1.H26 N = 123.391(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.5484e-01 1.D27 CA = 59.380(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0869e-02 1.D27 H = 7.996(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8825e-01 1.D27 N = 119.995(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6525e-01 1.Q28 CA = 54.702(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.8272e-01 1.Q28 H = 7.911(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0047e-01 1.Q28 N = 118.539(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0745e-01 1.D29 CA = 51.929(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7380e-01 1.D29 H = 9.734(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4082e-02 1.D29 N = 113.832(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7342e-02 1.F43 CA = 60.466(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5320e-01 1.F43 H = 8.233(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.5999e-01 1.F43 N = 121.980(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.1434e-01 1.A44 CA = 55.282(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.7933e-01 1.A44 H = 8.417(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1760e-01 1.A44 N = 120.536(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4665e-01 1.F45 H = 7.998(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.1512e-01 1.F45 N = 114.512(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5544e-01 1.S46 CA = 61.679(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5287e-01 1.S46 H = 8.454(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6806e-01 1.S46 N = 117.131(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0897e-01 1.L47 CA = 57.721(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2394e-01 1.L47 H = 8.341(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6441e-01 1.L47 N = 123.740(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.2977e-01 1.Y48 CA = 62.975(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.3572e-02 1.Y48 H = 8.664(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.3747e-01 1.Y48 N = 118.799(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8198e-01 1.R49 CA = 59.785(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9183e-01 1.R49 H = 8.430(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5544e-01 1.R49 N = 115.723(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.6770e-01 1.Q50 CA = 57.755(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.7976e-01 1.Q50 H = 7.531(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4289e-01 1.Q50 N = 118.095(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.1805e-01 1.L51 CA = 57.032(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.0739e-01 1.L51 H = 7.884(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9451e-01 1.L51 N = 119.593(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6105e-01 1.A52 CA = 53.418(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8834e-01 1.A52 H = 8.752(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5757e-01 1.A52 N = 122.105(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5064e-01 1.T58 CA = 59.970(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8500e-01 1.T58 H = 7.554(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.6853e-01 1.T58 N = 114.158(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9048e-01 1.N59 CA = 53.524(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.9321e-01 1.N59 H = 8.802(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.6336e-01 1.N59 N = 121.277(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6031e-01 1.I60 CA = 60.465(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.6921e-01 1.I60 H = 9.109(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.2280e-01 1.I60 N = 122.907(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3530e-01 1.F61 CA = 59.397(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.0834e-01 1.F61 H = 8.152(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7267e-01 1.F61 N = 123.831(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.1860e-01 1.P64 CA = 64.289(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2809e-01 1.V65 CA = 65.531(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8765e-01 1.V65 H = 6.332(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4736e-03 1.V65 N = 110.587(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0101e-02 1.T69 CA = 65.813(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.6536e-01 1.T69 H = 7.592(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9595e-01 1.T69 N = 120.487(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.8609e-01 1.A70 CA = 54.900(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7406e-01 1.A70 H = 8.213(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8271e-01 1.A70 N = 118.943(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2589e-01 1.F71 CA = 61.617(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.6874e-01 1.F71 H = 7.626(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.0799e-01 1.F71 N = 114.265(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.3896e-01 1.A72 CA = 55.062(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3169e-01 1.A72 H = 8.624(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.7977e-01 1.A72 N = 126.575(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4470e-01 1.M73 CA = 58.510(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.8182e-01 1.M73 H = 7.733(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.7976e-01 1.M73 N = 120.468(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.1568e-01 1.L74 CA = 56.815(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.7478e-01 1.L74 H = 7.607(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3783e-01 1.L74 N = 117.913(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1151e-01 1.L76 CA = 57.046(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.0319e-01 1.L76 H = 7.762(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7153e-01 1.L76 N = 123.948(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9238e-01 1.G77 CA = 44.222(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9991e-01 1.G77 H = 8.540(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4664e-01 1.G77 N = 106.287(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.8203e-01 1.T78 CA = 58.524(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5357e-01 1.T78 H = 7.585(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9076e-01 1.T78 N = 108.986(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7557e-01 1.K79 CA = 53.410(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0760e-01 1.K79 H = 7.532(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7279e-01 1.K79 N = 115.828(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.6601e-01 1.A80 CA = 52.774(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5335e-01 1.A80 H = 8.702(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0278e-01 1.A80 N = 122.284(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8929e-01 1.D81 CA = 56.488(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.7577e-01 1.D81 H = 8.761(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3681e-01 1.D81 N = 119.284(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2342e-01 1.H83 CA = 58.775(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.2897e-01 1.H83 H = 6.781(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.1906e-02 1.H83 N = 120.950(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.5276e-01 1.D84 CA = 57.021(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.5085e-01 1.D84 H = 8.604(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1223e-01 1.D84 N = 119.691(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0379e-01 1.E85 CA = 58.923(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4309e-01 1.E85 H = 8.011(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.8873e-01 1.E85 N = 117.257(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2672e-01 1.I86 CA = 65.573(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3921e-01 1.I86 H = 7.170(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0261e-01 1.I86 N = 116.594(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5557e-01 1.L87 CA = 57.733(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2119e-01 1.L87 H = 6.951(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9104e-02 1.L87 N = 114.889(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3867e-02 1.E88 CA = 58.629(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.3111e-01 1.E88 H = 8.531(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3335e-01 1.E88 N = 117.745(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0062e-01 1.G89 CA = 45.866(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0018e-01 1.G89 H = 8.277(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G89 N = 111.601(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1780e-01 1.L90 CA = 53.889(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1640e-01 1.L90 H = 7.180(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.0623e-01 1.L90 N = 118.637(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0857e-01 1.N91 CA = 54.338(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.7122e-01 1.N91 H = 7.705(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1349e-01 1.N91 N = 107.160(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4936e-03 1.F92 CA = 57.638(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.6345e-01 1.F92 H = 7.758(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.0309e-01 1.F92 N = 115.326(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2026e-01 1.N93 CA = 51.408(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5678e-01 1.N93 H = 8.556(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.3171e-01 1.N93 N = 119.854(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.1865e-01 1.L94 CA = 56.066(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.3414e-01 1.L94 H = 8.970(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5493e-01 1.L94 N = 125.725(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2167e-01 1.T95 CA = 63.702(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.6719e-01 1.T95 H = 8.176(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1778e-01 1.T95 N = 111.177(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7172e-01 1.E96 CA = 56.741(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8175e-01 1.E96 H = 7.606(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1978e-01 1.E96 N = 120.451(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4982e-01 1.I97 CA = 56.820(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3887e-02 1.I97 H = 7.951(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.2851e-01 1.I97 N = 119.969(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.2757e-01 1.P98 CA = 61.497(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.2785e-01 1.E99 CA = 59.716(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5162e-01 1.E99 H = 8.901(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3315e-01 1.E99 N = 123.553(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0742e-01 1.A100 CA = 55.059(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3245e-01 1.A100 H = 8.789(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2626e-01 1.A100 N = 117.954(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.3612e-01 1.Q101 CA = 57.829(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.5632e-01 1.Q101 H = 7.331(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3187e-01 1.Q101 N = 114.206(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1436e-01 1.I102 CA = 65.136(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8828e-01 1.I102 H = 7.373(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8226e-01 1.I102 N = 122.867(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4235e-01 1.H103 CA = 59.512(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9524e-01 1.H103 H = 7.283(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.5932e-01 1.H103 N = 115.707(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.1937e-01 1.E104 CA = 59.241(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.5802e-01 1.E104 H = 7.994(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6902e-01 1.E104 N = 117.918(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2906e-01 1.G105 CA = 46.763(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9166e-01 1.G105 H = 7.994(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.0521e-01 1.G105 N = 107.489(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7305e-01 1.Q107 CA = 59.206(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1803e-01 1.Q107 H = 8.729(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8830e-01 1.Q107 N = 119.739(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6654e-01 1.E108 CA = 58.545(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5779e-01 1.E108 H = 8.059(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4600e-01 1.E108 N = 119.659(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7142e-01 1.L109 CA = 57.969(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7011e-01 1.L109 H = 7.979(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9938e-01 1.L109 N = 122.151(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4052e-01 1.L110 CA = 57.782(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1009e-01 1.L110 H = 8.610(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.5881e-01 1.L110 N = 118.935(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5325e-01 1.R111 CA = 59.259(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8126e-01 1.R111 H = 8.052(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5793e-01 1.R111 N = 119.198(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.6333e-01 1.T112 CA = 65.653(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8501e-01 1.T112 H = 7.814(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.9202e-01 1.T112 N = 114.259(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.0690e-01 1.L113 CA = 56.275(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.5845e-01 1.L113 H = 7.966(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8463e-01 1.L113 N = 119.820(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0092e-01 1.N114 CA = 52.527(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.9000e-01 1.N114 H = 7.711(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1808e-01 1.N114 N = 115.308(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.6878e-01 1.Q115 CA = 54.087(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4593e-01 1.Q115 H = 7.491(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1661e-01 1.Q115 N = 121.458(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6316e-01 1.Q121 CA = 55.269(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4322e-01 1.L122 CA = 54.355(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.5258e-01 1.L122 H = 8.249(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7668e-01 1.L122 N = 124.747(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5914e-01 1.T123 CA = 61.190(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9086e-01 1.T123 H = 8.769(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.9353e-01 1.T123 N = 121.789(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7997e-01 1.T124 CA = 58.458(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4636e-01 1.T124 H = 8.997(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2210e-01 1.T124 N = 120.706(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.6578e-01 1.G125 CA = 44.936(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5736e-01 1.G125 H = 7.263(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0069e-01 1.G125 N = 112.333(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9138e-01 1.N126 CA = 52.706(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.5732e-01 1.N126 H = 8.228(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.5890e-01 1.N126 N = 115.112(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4344e-01 1.G127 CA = 44.613(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8232e-01 1.G127 H = 9.458(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2673e-02 1.G127 N = 108.738(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0969e-01 1.L128 CA = 53.656(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5649e-01 1.L128 H = 8.473(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0852e-01 1.L128 N = 125.782(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1459e-01 1.F129 CA = 56.607(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.6654e-01 1.F129 H = 9.415(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.4284e-01 1.F129 N = 120.594(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7252e-01 1.L130 CA = 53.546(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3020e-01 1.L130 H = 9.066(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9839e-01 1.L130 N = 125.989(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.8973e-01 1.S131 CA = 58.968(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0464e-01 1.S131 H = 8.159(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3751e-01 1.S131 N = 114.080(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3197e-01 1.E132 CA = 57.154(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3669e-01 1.E132 H = 8.094(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.8916e-01 1.E132 N = 124.341(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9148e-01 1.G133 CA = 44.786(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7383e-01 1.L134 CA = 53.607(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4462e-01 1.L134 H = 7.278(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4303e-01 1.L134 N = 119.853(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0682e-01 1.K135 CA = 55.236(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.3593e-01 1.K135 H = 8.631(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.6234e-01 1.K135 N = 123.797(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.6622e-01 1.L136 CA = 53.829(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0043e-01 1.L136 H = 8.937(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7673e-01 1.L136 N = 131.489(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3550e-02 1.V137 CA = 62.584(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7378e-01 1.V137 H = 8.257(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6072e-01 1.V137 N = 124.341(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.8077e-01 1.D138 CA = 57.933(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.1015e-01 1.D138 H = 8.461(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9460e-01 1.D138 N = 129.051(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.9524e-02 1.K139 CA = 58.761(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.1040e-01 1.K139 H = 8.379(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5276e-01 1.K139 N = 119.159(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1595e-01 1.F140 CA = 60.538(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.3886e-01 1.F140 H = 6.855(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.6593e-02 1.F140 N = 117.402(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.6589e-01 1.L141 CA = 56.963(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2836e-01 1.L141 H = 7.105(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3493e-02 1.L141 N = 115.499(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0288e-01 1.E142 CA = 58.508(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6975e-01 1.E142 H = 8.142(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5000e-01 1.E142 N = 117.786(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0725e-01 1.D143 CA = 57.484(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6871e-01 1.D143 H = 8.542(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8916e-01 1.D143 N = 121.412(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4351e-01 1.V144 CA = 65.936(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2824e-01 1.V144 H = 8.323(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6072e-01 1.V144 N = 115.685(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2954e-01 1.K145 CA = 58.528(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.7321e-01 1.K145 H = 7.016(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0387e-02 1.K145 N = 119.775(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3522e-01 1.K146 CA = 58.647(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.4049e-01 1.K146 H = 8.494(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1239e-01 1.K146 N = 118.461(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9225e-01 1.L147 CA = 55.947(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7799e-01 1.L147 H = 8.324(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8501e-01 1.L147 N = 115.153(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5479e-02 1.S150 CA = 58.242(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1738e-01 1.S150 H = 8.021(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6067e-01 1.S150 N = 114.087(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3328e-01 1.E151 CA = 54.933(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5341e-01 1.E151 H = 7.928(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9565e-01 1.E151 N = 119.343(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.0296e-01 1.A152 CA = 49.356(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.5990e-02 1.A152 H = 7.795(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.9968e-01 1.A152 N = 122.006(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2952e-01 1.F153 CA = 55.944(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.0590e-01 1.F153 H = 8.698(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3875e-01 1.F153 N = 120.110(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.3517e-01 1.T154 CA = 59.254(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5214e-01 1.T154 H = 8.436(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.5190e-01 1.T154 N = 113.249(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4763e-01 1.V155 CA = 58.693(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.8430e-01 1.V155 H = 8.450(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1126e-01 1.V155 N = 117.645(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4140e-01 1.N156 CA = 50.843(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5141e-01 1.N156 H = 8.530(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.6297e-01 1.N156 N = 120.896(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.2566e-01 1.F157 CA = 60.349(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.7730e-01 1.F157 H = 8.682(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5471e-01 1.F157 N = 124.834(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.9427e-01 1.G158 CA = 46.173(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.3910e-01 1.G158 H = 8.277(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G158 N = 105.547(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.8671e-01 1.D159 CA = 51.676(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3762e-01 1.D159 H = 6.905(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5418e-02 1.D159 N = 119.906(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4716e-01 1.T160 CA = 65.917(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5346e-01 1.T160 H = 8.147(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8076e-01 1.T160 N = 115.561(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.7632e-01 1.E161 CA = 58.589(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.4373e-01 1.E161 H = 8.282(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3516e-01 1.E161 N = 120.007(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4890e-01 1.E162 CA = 58.175(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8247e-01 1.E162 H = 7.729(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0837e-01 1.E162 N = 121.956(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1172e-01 1.A163 CA = 54.960(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5800e-01 1.A163 H = 8.518(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.9611e-01 1.A163 N = 122.438(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2297e-01 1.K164 CA = 59.945(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7340e-01 1.K164 H = 7.922(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5512e-01 1.K164 N = 116.122(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.9116e-01 1.K165 CA = 59.059(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.3774e-01 1.K165 H = 7.408(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9246e-01 1.K165 N = 118.141(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4034e-01 1.Q166 CA = 58.941(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6789e-01 1.Q166 H = 8.107(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.4811e-01 1.Q166 N = 117.921(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.8442e-01 1.I167 CA = 64.780(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3687e-01 1.I167 H = 7.820(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9874e-01 1.I167 N = 120.041(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4023e-01 1.N168 CA = 55.484(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.0112e-01 1.N168 H = 8.384(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4432e-01 1.N168 N = 117.586(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3876e-01 1.D169 CA = 57.038(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4742e-01 1.D169 H = 9.094(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.7646e-01 1.D169 N = 122.355(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5870e-01 1.Y170 CA = 60.808(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.8600e-01 1.Y170 H = 7.671(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.7398e-01 1.Y170 N = 120.725(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.6107e-01 1.V171 CA = 65.322(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2207e-01 1.V171 H = 7.671(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5555e-01 1.V171 N = 119.911(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8662e-01 1.E172 CA = 59.809(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3369e-01 1.E172 H = 8.647(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9107e-01 1.E172 N = 124.006(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.3775e-01 1.K173 CA = 58.800(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0040e-01 1.K173 H = 8.457(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5632e-01 1.K173 N = 119.021(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9044e-01 1.G174 CA = 45.897(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8312e-01 1.G174 H = 8.055(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7224e-01 1.G174 N = 107.827(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3391e-01 1.T175 CA = 60.268(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.5105e-01 1.T175 H = 7.434(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.9360e-01 1.T175 N = 106.231(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3049e-02 1.Q176 CA = 56.528(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.8434e-01 1.Q176 H = 7.840(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.1953e-01 1.Q176 N = 119.592(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3403e-01 1.G177 CA = 44.617(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8437e-01 1.G177 H = 8.926(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5918e-01 1.G177 N = 103.523(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.1220e-01 1.K178 CA = 57.217(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0340e-01 1.K178 H = 7.362(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.6759e-01 1.K178 N = 118.190(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4808e-01 1.I179 CA = 60.260(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1445e-01 1.I179 H = 7.640(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4661e-01 1.I179 N = 116.997(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9706e-01 1.V180 CA = 59.212(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.5173e-01 1.V180 H = 7.861(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2198e-01 1.V180 N = 120.244(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4355e-01 1.D181 CA = 54.292(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4456e-01 1.D181 H = 8.989(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.4172e-01 1.D181 N = 122.283(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7225e-01 1.L182 CA = 58.541(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7026e-01 1.L182 H = 7.265(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3765e-01 1.L182 N = 118.112(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3654e-01 1.V183 CA = 61.743(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9395e-01 1.V183 H = 9.619(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7302e-02 1.V183 N = 117.387(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0843e-01 1.D187 CA = 54.244(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.2610e-01 1.R188 CA = 55.471(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7389e-01 1.R188 H = 8.281(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4641e-01 1.R188 N = 119.730(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.7123e-01 1.D189 CA = 54.134(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8417e-01 1.D189 H = 8.281(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6012e-01 1.D189 N = 120.733(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8284e-01 1.F192 CA = 53.735(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.0901e-02 1.F192 H = 7.022(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3122e-02 1.F192 N = 120.965(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.0194e-01 1.A193 CA = 49.395(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.8569e-02 1.A193 H = 10.065(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.8815e-03 1.A193 N = 129.980(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6549e-02 1.L194 CA = 53.687(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6414e-01 1.L194 H = 8.669(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9943e-01 1.L194 N = 123.280(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1578e-01 1.V195 CA = 59.310(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6619e-01 1.V195 H = 9.379(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.0408e-01 1.V195 N = 120.489(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8598e-01 1.N196 CA = 53.107(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1784e-01 1.N196 H = 9.021(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.7972e-01 1.N196 N = 124.578(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.6107e-01 1.Y197 CA = 53.954(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.6163e-02 1.Y197 H = 8.217(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.8779e-01 1.Y197 N = 121.260(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6014e-01 1.I198 CA = 59.783(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.9542e-01 1.I198 H = 8.708(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2908e-01 1.I198 N = 118.373(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.7075e-01 1.F199 CA = 55.491(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.1375e-01 1.F199 H = 9.283(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.9986e-01 1.F199 N = 127.220(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.0531e-01 1.F200 CA = 55.681(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5058e-01 1.F200 H = 8.097(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.1490e-01 1.F200 N = 125.972(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.8648e-01 1.K201 CA = 55.714(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7424e-01 1.K201 H = 7.818(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.3526e-01 1.K201 N = 127.605(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2083e-02 1.G202 CA = 44.199(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.9037e-01 1.G202 H = 7.444(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7286e-01 1.G202 N = 113.015(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.8740e-01 1.K203 CA = 53.867(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6111e-01 1.K203 H = 8.922(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2246e-01 1.K203 N = 120.584(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0163e-01 1.W204 CA = 56.360(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.1435e-01 1.W204 H = 8.656(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.4316e-01 1.W204 N = 124.263(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.3661e-01 1.E205 CA = 59.410(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1731e-01 1.E205 H = 8.319(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8513e-01 1.E205 N = 119.840(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1149e-01 1.R206 CA = 51.321(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.8330e-02 1.R206 H = 8.293(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3076e-01 1.R206 N = 116.862(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.8457e-01 1.P207 CA = 62.436(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5643e-01 1.F208 CA = 56.840(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.2946e-01 1.F208 H = 8.667(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6982e-01 1.F208 N = 117.131(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2718e-01 1.E209 CA = 55.072(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8211e-01 1.E209 H = 9.650(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5268e-02 1.E209 N = 120.849(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.5898e-01 1.V210 CA = 65.102(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6109e-01 1.V210 H = 8.695(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4553e-01 1.V210 N = 128.537(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0325e-01 1.K211 CA = 57.802(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9855e-01 1.K211 H = 8.884(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4741e-01 1.K211 N = 118.146(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4113e-01 1.D212 CA = 54.287(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4264e-01 1.D212 H = 7.666(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.6685e-01 1.D212 N = 118.037(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9844e-01 1.T213 CA = 62.449(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.2955e-01 1.T213 H = 7.594(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9744e-01 1.T213 N = 120.284(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0584e-01 1.E214 CA = 54.248(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4160e-01 1.E214 H = 8.377(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.3651e-01 1.E214 N = 126.648(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5830e-02 1.E215 CA = 56.800(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0351e-01 1.E215 H = 8.787(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3859e-01 1.E215 N = 123.399(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3293e-01 1.E216 CA = 54.021(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1446e-01 1.E216 H = 8.891(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4168e-01 1.E216 N = 123.593(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0094e-01 1.D217 CA = 55.181(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0888e-01 1.D217 H = 8.353(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4090e-01 1.D217 N = 118.770(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2623e-01 1.F218 CA = 56.342(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.9887e-01 1.F218 H = 9.343(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7217e-01 1.F218 N = 121.927(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.2383e-01 1.H219 CA = 55.158(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.5545e-01 1.H219 H = 8.745(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.5770e-01 1.H219 N = 129.619(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.3056e-02 1.V220 CA = 65.461(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9889e-01 1.V220 H = 8.142(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2517e-01 1.V220 N = 129.317(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1687e-02 1.D221 CA = 53.034(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.1464e-01 1.D221 H = 8.128(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5368e-01 1.D221 N = 113.170(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2645e-02 1.Q222 CA = 58.387(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.9585e-01 1.V223 CA = 60.829(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6140e-01 1.V223 H = 8.263(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6786e-01 1.V223 N = 110.836(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3232e-02 1.T224 CA = 62.837(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1171e-01 1.T224 H = 8.063(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7527e-01 1.T224 N = 121.172(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2592e-01 1.T225 CA = 60.425(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.8828e-01 1.T225 H = 8.642(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1673e-01 1.T225 N = 122.939(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.1343e-01 1.V226 CA = 58.340(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4677e-01 1.V226 H = 9.085(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3540e-01 1.V226 N = 118.937(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2750e-01 1.K227 CA = 53.839(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5733e-01 1.K227 H = 8.325(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2198e-01 1.K227 N = 120.274(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3692e-01 1.V228 CA = 56.850(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8606e-02 1.V228 H = 9.037(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6488e-01 1.V228 N = 118.249(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2427e-01 1.P229 CA = 62.357(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2209e-01 1.M230 CA = 53.311(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.0942e-01 1.M230 H = 8.736(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.2758e-01 1.M230 N = 127.254(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.4779e-02 1.M231 CA = 54.371(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.3550e-01 1.M231 H = 8.630(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.3745e-01 1.M231 N = 127.012(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.2509e-02 1.K232 CA = 54.517(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6877e-01 1.K232 H = 8.589(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.0605e-01 1.K232 N = 119.289(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.4042e-01 1.R233 CA = 56.975(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.2929e-01 1.R233 H = 8.377(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.2230e-01 1.R233 N = 120.853(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.8851e-01 1.L234 CA = 53.432(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0431e-01 1.L234 H = 8.551(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.2141e-01 1.L234 N = 129.319(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5804e-02 1.G235 CA = 45.028(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1010e-01 1.G235 H = 8.589(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9029e-01 1.G235 N = 112.742(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2731e-01 1.M236 CA = 52.600(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.1549e-01 1.M236 H = 7.987(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.4911e-01 1.M236 N = 117.317(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.3731e-01 1.F237 CA = 56.798(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1790e-01 1.F237 H = 9.249(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.1693e-01 1.F237 N = 120.751(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.4259e-01 1.N238 CA = 52.058(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.3052e-01 1.I239 CA = 57.846(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6018e-01 1.I239 H = 7.566(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.9372e-01 1.I239 N = 122.269(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5008e-01 1.Q240 CA = 54.021(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3361e-01 1.Q240 H = 8.527(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0283e-01 1.Q240 N = 120.164(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3933e-01 1.S247 CB = 69.030(S), Expected = 63.80, Std = 1.4800, ChiSquare = 4.0966e-04 1.V249 CA = 61.701(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.8264e-01 1.V249 H = 9.447(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4192e-02 1.V249 N = 123.326(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3016e-01 1.L250 CA = 52.511(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4439e-01 1.L250 H = 9.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0272e-01 1.L250 N = 130.059(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5526e-02 1.L251 CA = 54.780(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.9331e-01 1.L251 H = 8.934(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7877e-01 1.L251 N = 127.667(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3649e-01 1.M252 CA = 54.310(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.1957e-01 1.M252 H = 9.453(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.6775e-02 1.M252 N = 121.695(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5301e-01 1.K253 CA = 57.041(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.6701e-01 1.K253 H = 8.867(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5918e-01 1.K253 N = 123.274(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5524e-01 1.Y254 CA = 57.992(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.5615e-01 1.Y254 H = 8.840(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7626e-01 1.Y254 N = 123.311(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.0636e-01 1.L255 CA = 55.739(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.5545e-01 1.L255 H = 9.016(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2657e-01 1.L255 N = 120.727(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7142e-01 1.G256 CA = 44.700(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2762e-01 1.G256 H = 8.589(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9029e-01 1.G256 N = 108.610(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8416e-01 1.N257 CA = 53.791(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9379e-01 1.N257 H = 8.395(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.3043e-01 1.N257 N = 113.524(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.7978e-01 1.A258 CA = 51.344(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6437e-01 1.A258 H = 7.589(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0852e-01 1.A258 N = 119.243(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6005e-01 1.T259 CA = 62.299(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7567e-01 1.T259 H = 9.005(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1725e-01 1.T259 N = 117.692(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3243e-01 1.A260 CA = 50.650(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0855e-01 1.A260 H = 9.382(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8838e-02 1.A260 N = 130.304(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5684e-02 1.I261 CA = 59.477(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.2609e-01 1.I261 H = 9.045(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.6059e-01 1.I261 N = 121.690(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5714e-01 1.F263 CA = 55.813(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.7772e-01 1.F263 H = 9.897(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2784e-02 1.F263 N = 118.562(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5150e-01 1.L264 CA = 49.978(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0772e-03 1.L264 H = 9.316(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4767e-02 1.L264 N = 125.782(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1459e-01 1.G268 CA = 45.593(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5610e-01 1.K269 CA = 53.757(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4668e-01 1.K269 H = 8.252(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1770e-01 1.K269 N = 116.923(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7365e-01 1.L270 CA = 59.727(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3834e-02 1.L270 H = 8.474(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0737e-01 1.L270 N = 123.623(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5123e-01 1.Q271 CA = 59.099(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3729e-01 1.Q271 H = 8.300(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9214e-01 1.Q271 N = 116.184(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0327e-01 1.H272 CA = 59.851(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.4930e-01 1.H272 H = 7.709(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.3487e-01 1.H272 N = 119.932(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.5176e-01 1.E274 CA = 59.324(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.3763e-01 1.N275 CA = 54.573(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.8268e-01 1.N275 H = 8.098(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0088e-01 1.N275 N = 115.408(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.8215e-01 1.E276 CA = 55.489(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8099e-01 1.E276 H = 7.764(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3740e-01 1.E276 N = 116.913(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8032e-01 1.T278 CA = 58.778(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.8386e-01 1.T278 H = 6.296(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.7157e-03 1.T278 N = 108.821(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.6475e-01 1.E287 CA = 56.332(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.3641e-01 1.E287 H = 7.431(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.2758e-01 1.E287 N = 115.742(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5675e-01 1.N288 CA = 53.516(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8981e-01 1.N288 H = 7.371(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2403e-01 1.N288 N = 117.940(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.0595e-01 1.E289 CA = 55.456(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7246e-01 1.D290 CA = 54.835(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.4306e-01 1.D290 H = 7.851(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.2872e-01 1.D290 N = 122.551(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2237e-01 1.R291 CA = 54.247(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7474e-01 1.R291 H = 8.363(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.4020e-01 1.R291 N = 119.787(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.8311e-01 1.R292 CA = 54.226(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.7077e-01 1.R292 H = 9.246(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.9111e-02 1.R292 N = 119.041(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3266e-01 1.S293 CA = 57.689(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.1844e-01 1.S293 H = 8.594(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.9459e-01 1.S293 N = 117.357(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5963e-01 1.A294 CA = 52.023(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.7266e-01 1.A294 H = 9.137(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1837e-01 1.A294 N = 120.529(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4547e-01 1.S295 CA = 56.249(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.3259e-01 1.S295 H = 8.527(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7548e-01 1.S295 N = 114.969(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0956e-01 1.L296 CA = 53.531(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2672e-01 1.L296 H = 8.503(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7449e-01 1.L296 N = 129.106(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3176e-02 1.H297 CA = 53.241(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.5576e-01 1.H297 H = 8.300(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.2969e-01 1.H297 N = 124.447(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.3434e-01 1.L298 CA = 51.038(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1463e-02 1.L298 H = 8.984(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4605e-01 1.L298 N = 128.093(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1000e-01 1.P299 CA = 63.619(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4921e-01 1.K300 CA = 55.730(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7921e-01 1.K300 H = 7.774(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8810e-01 1.K300 N = 119.374(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5664e-01 1.L301 CA = 54.142(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8775e-01 1.L301 H = 7.921(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3451e-01 1.L301 N = 120.526(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3231e-01 1.S302 CA = 57.365(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1273e-01 1.S302 H = 8.532(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6929e-01 1.S302 N = 117.849(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5579e-01 1.I303 CA = 58.921(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1569e-01 1.I303 H = 8.757(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8301e-01 1.I303 N = 123.405(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4951e-01 1.T304 CA = 59.514(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9612e-01 1.T304 H = 8.115(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4022e-01 1.T304 N = 116.711(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8578e-01 1.G305 CA = 44.951(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6589e-01 1.G305 H = 9.340(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2022e-01 1.G305 N = 113.706(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9700e-01 1.T306 CA = 61.093(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6346e-01 1.T306 H = 7.789(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.6697e-01 1.T306 N = 119.343(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.0886e-01 1.Y307 CA = 57.278(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3428e-01 1.Y307 H = 9.420(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.3185e-01 1.Y307 N = 121.643(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8918e-01 1.S311 CA = 60.223(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6779e-01 1.V312 CA = 65.083(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6460e-01 1.V312 H = 8.047(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1684e-01 1.V312 N = 117.847(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.6825e-01 1.L313 CA = 56.422(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0653e-01 1.L313 H = 8.319(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9109e-01 1.L313 N = 115.539(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0507e-01 1.G314 CA = 47.389(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2810e-01 1.G314 H = 7.429(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6570e-01 1.G314 N = 108.633(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8873e-01 1.Q315 CA = 56.950(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.5906e-01 1.Q315 H = 7.245(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8424e-02 1.Q315 N = 119.231(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.5475e-01 1.L316 CA = 54.404(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.6807e-01 1.L316 H = 7.117(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6840e-02 1.L316 N = 118.251(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5477e-01 1.G317 CA = 44.798(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8038e-01 1.G317 H = 7.430(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6617e-01 1.G317 N = 104.355(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6963e-01 1.I318 CA = 61.446(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.5120e-01 1.I318 H = 7.895(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.7127e-01 1.I318 N = 120.980(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1071e-01 1.T319 CA = 62.263(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8675e-01 1.T319 H = 8.723(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3596e-01 1.T319 N = 115.457(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9379e-01 1.V321 CA = 63.126(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2402e-01 1.V321 H = 8.479(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.7787e-01 1.V321 N = 116.058(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.6298e-01 1.F322 CA = 56.782(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.1352e-01 1.F322 H = 6.916(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.4904e-02 1.F322 N = 115.397(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.2672e-01 1.S323 CA = 57.441(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.3666e-01 1.S323 H = 8.077(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3080e-01 1.S323 N = 116.449(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6171e-01 1.A326 CA = 53.116(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.9033e-01 1.A326 H = 7.560(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8612e-01 1.A326 N = 124.380(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4529e-01 1.D327 CA = 52.692(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2500e-01 1.D327 H = 8.394(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8485e-01 1.D327 N = 120.659(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9814e-01 1.L328 CA = 54.038(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5765e-01 1.L328 H = 8.531(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4331e-01 1.L328 N = 127.972(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1707e-01 1.S329 CA = 60.614(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6020e-01 1.S329 H = 8.610(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7594e-01 1.S329 N = 114.677(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.4882e-01 1.G330 CA = 45.103(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5376e-01 1.G330 H = 7.278(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0556e-01 1.G330 N = 105.822(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2007e-01 1.V331 CA = 63.555(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0961e-01 1.V331 H = 7.703(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8097e-01 1.V331 N = 118.833(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1135e-01 1.T332 CA = 59.843(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.5874e-01 1.T332 H = 7.111(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.8612e-02 1.T332 N = 109.398(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.0487e-01 1.E333 CA = 56.311(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2926e-01 1.E333 H = 9.135(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.7244e-01 1.E333 N = 125.276(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8565e-01 1.E334 CA = 57.506(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.2909e-01 1.E334 H = 8.142(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5000e-01 1.E334 N = 117.623(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.8126e-01 1.A335 CA = 49.752(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.7061e-02 1.A335 H = 7.368(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6554e-01 1.A335 N = 120.638(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6404e-01 1.P336 CA = 62.296(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9634e-01 1.L337 CA = 54.154(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9129e-01 1.L337 H = 8.165(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2034e-01 1.L337 N = 122.463(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7712e-01 1.K338 CA = 53.837(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5707e-01 1.K338 H = 6.830(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3411e-02 1.K338 N = 115.695(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5548e-01 1.L339 CA = 53.852(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0651e-01 1.L339 H = 8.308(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0448e-01 1.L339 N = 120.003(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3396e-01 1.S340 CA = 60.839(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0599e-01 1.S340 H = 8.412(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2297e-01 1.S340 N = 122.386(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2801e-02 1.K341 CA = 54.041(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8608e-01 1.K341 H = 7.291(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3405e-01 1.K341 N = 118.350(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7388e-01 1.A342 CA = 50.468(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.7718e-01 1.A342 H = 9.708(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1960e-02 1.A342 N = 129.770(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4681e-02 1.V343 CA = 59.964(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.7712e-01 1.V343 H = 8.578(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6730e-01 1.V343 N = 122.282(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0140e-01 1.H344 CA = 53.336(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.6809e-01 1.H344 H = 8.980(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7649e-01 1.H344 N = 124.255(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.5377e-01 1.K345 CA = 54.652(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.9623e-01 1.K345 H = 8.447(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6841e-01 1.K345 N = 126.905(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2041e-01 1.A346 CA = 49.466(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.3517e-02 1.A346 H = 9.022(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7069e-01 1.A346 N = 129.298(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6506e-02 1.V347 CA = 61.317(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.8170e-01 1.V347 H = 8.760(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8300e-01 1.V347 N = 121.860(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7399e-01 1.L348 CA = 53.131(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4259e-01 1.L348 H = 8.486(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9369e-01 1.L348 N = 127.050(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8326e-01 1.T349 CA = 61.189(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9058e-01 1.T349 H = 7.619(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.1653e-01 1.T349 N = 119.445(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.9679e-01 1.I350 CA = 60.815(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6674e-01 1.I350 H = 9.203(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.7467e-01 1.I350 N = 126.168(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7133e-01 1.D351 CA = 53.011(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.0818e-01 1.D351 H = 8.270(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4502e-01 1.D351 N = 126.151(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5412e-01 1.E352 CA = 59.965(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0567e-01 1.E352 H = 9.772(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4523e-02 1.E352 N = 115.945(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7454e-01 1.K353 CA = 58.126(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9296e-01 1.K353 H = 7.629(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.4979e-01 1.K353 N = 112.182(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.8660e-02 1.G354 CA = 45.852(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0794e-01 1.G354 H = 8.504(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8894e-01 1.G354 N = 107.524(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7922e-01 1.T355 CA = 61.952(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1759e-01 1.T355 H = 8.016(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1788e-01 1.T355 N = 115.883(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2235e-01 1.M361 CA = 55.010(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.2182e-01 1.F362 CA = 56.980(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.6864e-01 1.F362 H = 8.174(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.9615e-01 1.F362 N = 121.427(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.1519e-01 1.L363 CA = 54.398(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.6616e-01 1.L363 H = 8.110(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5353e-01 1.L363 N = 124.473(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0286e-01 1.E364 CA = 55.466(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7504e-01 1.E364 H = 8.266(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1362e-01 1.E364 N = 122.962(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.1014e-01 1.A365 CA = 51.556(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.2371e-01 1.A365 H = 8.316(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4670e-01 1.A365 N = 126.071(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2224e-01 1.I366 CA = 57.989(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7666e-01 1.I366 H = 8.162(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6224e-01 1.I366 N = 121.692(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.5677e-01 1.P367 Typing: Mistyped 1.P367 CA = 58.024(S), Expected = 63.33, Std = 1.5200, ChiSquare = 4.8160e-04 1.M368 CA = 52.972(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.5938e-01 1.M368 H = 8.379(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4278e-01 1.M368 N = 116.724(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.4575e-01 1.S369 Typing: Mistyped 1.S369 CA = 65.325(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4187e-03 1.S369 CB = 68.837(S), Expected = 63.80, Std = 1.4800, ChiSquare = 6.6558e-04 1.S369 H = 7.213(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0533e-02 1.S369 N = 117.407(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.4884e-01 1.P372 CA = 62.176(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.4773e-01 1.E373 CA = 54.636(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9907e-01 1.E373 H = 8.262(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0824e-01 1.E373 N = 121.516(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0793e-01 1.V374 CA = 61.402(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0363e-01 1.V374 H = 8.535(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1461e-01 1.V374 N = 128.178(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2109e-01 1.K375 CA = 54.148(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0279e-01 1.K375 H = 8.207(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7740e-01 1.K375 N = 123.319(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4727e-01 1.F376 CA = 56.130(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.4800e-01 1.F376 H = 8.786(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5407e-01 1.F376 N = 126.520(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4646e-01 1.N377 CA = 50.217(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.7136e-02 1.N377 H = 7.774(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6897e-01 1.N377 N = 118.379(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.9125e-01 1.K378 CA = 53.057(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6803e-02 1.K378 H = 7.413(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9532e-01 1.K378 N = 117.388(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3137e-01 1.P379 CA = 65.005(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7047e-01 1.F380 CA = 54.956(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.2415e-01 1.F380 H = 7.769(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1174e-01 1.F380 N = 113.825(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1298e-01 1.F382 CA = 56.017(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2213e-01 1.F382 H = 9.357(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6614e-01 1.F382 N = 123.841(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.1723e-01 1.M384 CA = 54.174(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.8531e-01 1.I385 CA = 56.806(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3047e-02 1.I385 H = 9.399(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.9849e-02 1.I385 N = 124.135(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.3197e-01 1.E386 CA = 56.617(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3660e-01 1.E386 H = 8.665(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7017e-01 1.E386 N = 128.959(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7224e-02 1.Q387 CA = 59.247(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1096e-01 1.Q387 H = 8.427(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.2570e-01 1.Q387 N = 126.367(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1992e-02 1.N388 CA = 56.963(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8646e-02 1.N388 H = 8.968(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.1885e-01 1.N388 N = 116.600(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.6315e-01 1.K390 CA = 57.219(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0268e-01 1.K390 H = 8.065(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3497e-01 1.K390 N = 117.148(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0066e-01 1.S391 CA = 57.523(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6309e-01 1.S391 H = 7.815(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.3062e-01 1.S391 N = 112.539(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.8788e-01 1.L393 CA = 56.698(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1278e-01 1.L393 H = 8.460(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2345e-01 1.L393 N = 127.942(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1888e-01 1.F394 CA = 56.217(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6851e-01 1.F394 H = 7.631(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1130e-01 1.F394 N = 108.249(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.5127e-03 1.M395 CA = 55.022(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.2563e-01 1.M395 H = 8.149(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.5323e-01 1.M395 N = 119.282(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.2094e-01 1.G396 CA = 45.811(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3082e-01 1.G396 H = 8.512(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7948e-01 1.G396 N = 108.125(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8973e-01 1.K397 CA = 55.531(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.1893e-01 1.K397 H = 9.581(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0431e-02 1.K397 N = 120.209(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2348e-01 1.V398 CA = 60.710(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3369e-01 1.V398 H = 8.429(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3565e-01 1.V398 N = 126.658(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2421e-01 1.V399 CA = 62.210(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2201e-01 1.V399 H = 8.576(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6948e-01 1.V399 N = 122.578(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5144e-01 1.N400 CA = 49.061(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7198e-02 1.N400 H = 8.109(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.1387e-01 1.N400 N = 108.685(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.1016e-02 1.T402 CA = 61.092(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.6318e-01 1.T402 H = 7.767(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.4552e-01 1.T402 N = 106.951(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4595e-02 1.Q403 CA = 56.011(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.9393e-01 1.Q403 H = 7.301(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.1932e-01 1.Q403 N = 123.275(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.4708e-01 1.K404 CA = 57.460(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1668e-01 1.K404 H = 8.237(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3756e-01 1.K404 N = 130.859(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2721e-03