M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 L 0.29 G 0.07 K 0.05 D 0.05 F 0.04 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.0 CA :: 43.3(D) Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.87 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) R3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 H 0.15 M 0.15 W 0.14 E 0.13 K 0.12 Q 0.1 V 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.3(D) CB :: 31.2 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.62(D) HA :: 4.38 HB2 :: 1.77 HB3 :: 1.77 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.22 Q 0.17 R 0.09 W 0.09 H 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 176.4 CA :: 56.5(D) CB :: 32.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.52(D) HA :: 4.26 HB2 :: 1.81 HB3 :: 1.72 HG2 :: 1.45 HG3 :: 1.45 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.1 H 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 N 0.05 E 0.05 Y 0.04 A 0.04 F 0.04 S 0.01 HN Overlap>> A54 C Shift Assignments>> C :: 177.2 CA :: 55.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.36(D) HA :: 4.32 HB2 :: 1.59 HB3 :: 1.59 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 121.98(4.07) E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 K 0.15 W 0.13 E 0.13 R 0.12 M 0.05 L 0.02 I 0.01 HN Overlap>> D89 C Shift Assignments>> C :: 176.1 CA :: 55.9(D) CB :: 29.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.40(D) HA :: 4.31 HB2 :: 2.03 HB3 :: 1.93 HG2 :: 2.35 HG3 :: 2.35 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 120.68(3.68) L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 K 0.19 R 0.19 D 0.15 F 0.08 Y 0.06 N 0.01 G 0.01 HN Overlap>> K50 C Shift Assignments>> C :: 177.7 CA :: 55.4(D) CB :: 42.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.35(D) HA :: 4.28 HB2 :: 1.63 HB3 :: 1.63 HD1 :: 0.86 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 121.98(4.07) T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T45 C Shift Assignments>> C :: 174.7 CA :: 62.0(D) CB :: 69.9 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.14(D) HA :: 4.31 HB :: 4.26 HG2 :: 1.20 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.8(D) Ave N Shift Values>> N :: 115.7(5.05) K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.21 Q 0.16 R 0.09 W 0.09 H 0.08 E 0.06 V 0.04 HN Overlap>> L80 C Shift Assignments>> C :: 176.5 CA :: 56.9(D) CB :: 32.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.36(D) HA :: 4.22 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.47 HG3 :: 1.37 HD2 :: 1.70 HD3 :: 1.70 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.22 HN Overlap>> L35 C Shift Assignments>> C :: 177.9 CA :: 52.7(D) CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.25(D) HA :: 4.26 HB :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 123.23(3.7) E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 E 0.14 W 0.14 K 0.14 R 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> E96 C Shift Assignments>> C :: 176.2 CA :: 56.1(D) CB :: 29.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.17(D) HA :: 4.26 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 2.38 HG3 :: 2.38 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 120.68(3.68) K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 HN Overlap>> Q94 C Shift Assignments>> C :: 176.3 CA :: 56.4(D) CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.24(D) HA :: 4.21 HB2 :: 1.73 HB3 :: 1.73 HG2 :: 1.42 HG3 :: 1.33 HD2 :: 1.66 HD3 :: 1.66 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.18 K 0.17 W 0.12 R 0.11 E 0.1 L 0.05 M 0.04 I 0.01 HN Overlap>> H53 C Shift Assignments>> C :: 174.3 CA :: 55.0(D) CB :: 28.9 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.55(D) HA :: 4.73 HB2 :: 3.28 HB3 :: 3.14 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 W 0.07 I 0.06 K 0.03 R 0.02 M 0.01 E 0.01 Q 0.01 H 0.01 HN Overlap>> M19 C Shift Assignments>> C :: 175.8 CA :: 62.5(D) CB :: 32.8 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.14(D) HA :: 4.06 HB :: 2.01 HG1 :: 0.86 HG2 :: 0.86 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.8(D) Ave N Shift Values>> N :: 121.02(4.96) H15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.18 K 0.16 W 0.12 R 0.11 E 0.11 M 0.05 L 0.04 I 0.01 HN Overlap>> H68 C Shift Assignments>> C :: 173.7 CA :: 54.9(D) CB :: 29.1 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.63(D) HA :: 4.69 HB2 :: 3.10 HB3 :: 3.10 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.21 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.3(D) CB :: 38.7 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.43(D) HA :: 4.64 HB2 :: 2.75 HB3 :: 2.66 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.0(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F17 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> K55 Q65 H Shift Assignments>> H :: 8.28(D) HA :: 4.54 HB2 :: 3.14 HB3 :: 2.91 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 120.69(4.18) M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 K 0.17 W 0.12 R 0.11 E 0.1 L 0.05 M 0.04 I 0.01 HN Overlap>> V27 M75 C Shift Assignments>> CA :: 55.0 CB :: 28.9 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.24 HA :: 4.39 HB2 :: 2.06 HB3 :: 1.95 HG2 :: 2.47 HG3 :: 2.38 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.5 Ave N Shift Values>> N :: 120.1(3.88) M19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.24 K 0.22 H 0.06 R 0.06 W 0.06 E 0.04 V 0.02 HN Overlap>> V14 C Shift Assignments>> CA :: 55.7(D) CB :: 33.5 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.18(D) HA :: 4.39 HB2 :: 2.07 HB3 :: 1.97 HG2 :: 2.56 HG3 :: 2.47 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.7(D) Ave N Shift Values>> N :: 120.1(3.88) D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.3 Y 0.12 F 0.11 L 0.09 K 0.01 C Shift Assignments>> CA :: 54.0(D) CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.40(D) HA :: 4.71 HB2 :: 2.87 HB3 :: 2.78 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.7(D) Ave N Shift Values>> N :: 120.73(4.2) T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.9 CA :: 62.4(D) CB :: 69.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.13(D) HA :: 4.39 HB :: 4.26 HG2 :: 1.20 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.6(D) Ave N Shift Values>> N :: 115.7(5.05) Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.16 H 0.16 W 0.13 E 0.13 R 0.11 M 0.04 L 0.03 I 0.02 HN Overlap>> R61 R71 C Shift Assignments>> C :: 176.3 CA :: 56.3(D) CB :: 29.1 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.42(D) HA :: 4.33 HB2 :: 2.06 HB3 :: 1.93 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.21 R 0.16 D 0.15 F 0.09 Y 0.07 N 0.01 HN Overlap>> A32 K43 C Shift Assignments>> C :: 177.8 CA :: 55.7(D) CB :: 42.2 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.17(D) HA :: 4.31 HB2 :: 1.67 HB3 :: 1.67 HG :: 1.61 HD1 :: 0.89 HD2 :: 0.89 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 121.98(4.07) T24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T38 T86 C Shift Assignments>> C :: 174.6 CA :: 62.3(D) CB :: 69.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.00(D) HA :: 4.25 HG2 :: 1.19 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.3(D) Ave N Shift Values>> N :: 115.7(5.05) K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 H 0.18 W 0.16 E 0.15 R 0.13 L 0.04 M 0.04 I 0.03 K 0.02 HN Overlap>> L80 C Shift Assignments>> CA :: 56.5(D) CB :: 28.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.20(D) HA :: 4.29 HB2 :: 1.82 HB3 :: 1.73 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.53 HD3 :: 1.53 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) R26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 W 0.14 E 0.14 Q 0.12 M 0.12 K 0.09 V 0.01 I 0.01 C Shift Assignments>> C :: 176.4 CA :: 56.3(D) CB :: 30.8 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.12(D) HA :: 4.29 HB2 :: 1.82 HB3 :: 1.72 HG2 :: 1.57 HG3 :: 1.57 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 W 0.07 I 0.05 K 0.03 R 0.02 M 0.02 E 0.01 Q 0.01 H 0.01 HN Overlap>> M18 C Shift Assignments>> C :: 176.2 CA :: 62.4(D) CB :: 32.8 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.16(D) HA :: 4.08 HB :: 2.06 HG1 :: 0.91 HG2 :: 0.79 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 121.02(4.96) K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 C Shift Assignments>> C :: 176.3 CA :: 56.7(D) CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.42(D) HA :: 4.25 HB2 :: 1.79 HB3 :: 1.69 HD2 :: 1.40 HD3 :: 1.40 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.0(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.22 Y 0.09 F 0.08 L 0.04 E 0.01 HN Overlap>> H53 C Shift Assignments>> C :: 175.0 CA :: 53.2(D) CB :: 38.8 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.43(D) HA :: 4.64 HB2 :: 2.82 HB3 :: 2.76 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.25 D 0.14 L 0.06 M 0.05 H 0.04 R 0.02 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 E 0.01 C Shift Assignments>> C :: 177.6 CA :: 52.9(D) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.30(D) HA :: 4.25 HB :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.9(D) Ave N Shift Values>> N :: 123.23(3.7) A31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.2 HN Overlap>> I51 K58 C Shift Assignments>> C :: 177.7 CA :: 52.5(D) CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.23(D) HA :: 4.29 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 123.23(3.7) A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.23 HN Overlap>> L23 K43 C Shift Assignments>> C :: 177.7 CA :: 52.8(D) CB :: 19.3 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.13(D) HA :: 4.23 HB :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 123.23(3.7) N33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.21 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.3 CA :: 53.4(D) CB :: 38.7 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.27(D) HA :: 4.65 HB2 :: 2.79 HB3 :: 2.79 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.4(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.72 I 0.08 W 0.07 R 0.02 K 0.02 E 0.01 M 0.01 H 0.01 HN Overlap>> V88 C Shift Assignments>> C :: 175.5 CA :: 62.6(D) CB :: 32.4 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.94(D) HA :: 4.02 HB :: 2.11 HG1 :: 0.91 HG2 :: 0.79 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.3(D) Ave N Shift Values>> N :: 121.02(4.96) L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.1 H 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 N 0.05 E 0.05 Y 0.04 A 0.04 F 0.04 S 0.01 HN Overlap>> A10 C Shift Assignments>> C :: 177.0 CA :: 55.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.15(D) HA :: 4.30 HB2 :: 1.69 HB3 :: 1.60 HD1 :: 0.91 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 121.98(4.07) R36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 W 0.14 E 0.14 Q 0.14 M 0.1 K 0.08 I 0.01 HN Overlap>> R61 V73 C Shift Assignments>> CA :: 55.9(D) CB :: 30.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.26(D) HA :: 4.24 HB2 :: 1.79 HB3 :: 1.68 HG2 :: 1.57 HG3 :: 1.57 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.17 H 0.15 R 0.13 W 0.12 E 0.11 L 0.06 M 0.03 I 0.02 C Shift Assignments>> CA :: 55.9(D) CB :: 28.6 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.22(D) HA :: 4.17 HB2 :: 1.87 HB3 :: 1.75 HG2 :: 2.34 HG3 :: 2.34 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.4(D) Ave N Shift Values>> N :: 120.68(3.68) T38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T24 T86 C Shift Assignments>> CA :: 62.1(D) CB :: 69.4 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.03(D) HA :: 4.21 HB :: 4.12 HG2 :: 1.16 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.3(D) Ave N Shift Values>> N :: 115.7(5.05) W39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 H 0.15 W 0.14 E 0.14 R 0.11 M 0.03 I 0.03 L 0.02 C Shift Assignments>> CA :: 56.9(D) CB :: 29.1 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.90(D) HA :: 4.67 HB2 :: 3.32 HB3 :: 3.32 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.8(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.22 R 0.15 D 0.14 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> CA :: 55.9 CB :: 42.1 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.82(D) HA :: 4.15 HB2 :: 1.51 HB3 :: 1.40 HD1 :: 0.81 HD2 :: 0.81 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 121.98(4.07) I41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 W 0.13 K 0.13 M 0.08 R 0.08 Q 0.06 E 0.06 H 0.04 C Shift Assignments>> CA :: 60.4(D) CB :: 32.7 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.77(D) HA :: 4.01 HB :: 1.76 HG2 :: 1.09 HG12 :: 1.39 HG13 :: 1.17 HD1 :: 0.76 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.8(D) Ave N Shift Values>> N :: 121.6(4.72) Y42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.29 I 0.16 E 0.08 D 0.03 L 0.02 N 0.02 HN Overlap>> L47 C Shift Assignments>> CA :: 58.1(D) CB :: 38.6 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.10(D) HA :: 4.53 HB2 :: 3.05 HB3 :: 2.92 HD1 :: 7.08 HD2 :: 7.08 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 120.79(4.69) K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.21 Q 0.15 R 0.1 H 0.09 W 0.09 E 0.06 V 0.02 HN Overlap>> L23 A32 C Shift Assignments>> CA :: 55.9(D) CB :: 32.8 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.15(D) HA :: 4.12 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 1.28 HG3 :: 1.28 HD2 :: 1.61 HD3 :: 1.61 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.53 D 0.21 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.2(D) CB :: 38.7 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.30(D) HA :: 4.71 HB2 :: 2.89 HB3 :: 2.77 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T8 C Shift Assignments>> CA :: 62.2(D) CB :: 69.6 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.09(D) HA :: 4.25 HB :: 4.20 HG2 :: 1.20 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.8(D) Ave N Shift Values>> N :: 115.7(5.05) K46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.22 Q 0.17 R 0.09 W 0.09 H 0.08 E 0.06 V 0.03 HN Overlap>> A91 C Shift Assignments>> CA :: 56.5(D) CB :: 32.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.23(D) HA :: 4.28 HB2 :: 1.77 HB3 :: 1.77 HG2 :: 1.37 HG3 :: 1.37 HD2 :: 1.67 HD3 :: 1.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.19 K 0.17 D 0.16 F 0.07 Y 0.05 N 0.02 G 0.01 HN Overlap>> Y42 C Shift Assignments>> C :: 176.7 CA :: 55.1(D) CB :: 42.5 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.10(D) HA :: 4.30 HB2 :: 1.64 HB3 :: 1.64 HG :: 1.57 HD1 :: 0.87 HD2 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.2(D) Ave N Shift Values>> N :: 121.98(4.07) V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.7 W 0.08 I 0.06 K 0.03 R 0.03 M 0.02 E 0.02 Q 0.01 H 0.01 HN Overlap>> V56 L95 C Shift Assignments>> C :: 175.9 CA :: 62.3(D) CB :: 32.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.09(D) HA :: 4.05 HB :: 2.02 HG1 :: 0.89 HG2 :: 0.78 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.0(D) Ave N Shift Values>> N :: 121.02(4.96) K49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.1 L 0.09 K 0.09 R 0.09 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.05 S 0.03 N 0.01 A 0.01 HN Overlap>> R57 C Shift Assignments>> C :: 176.2 CA :: 56.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.34(D) HA :: 4.31 HB2 :: 1.75 HB3 :: 1.75 HG2 :: 1.40 HG3 :: 1.40 HD2 :: 1.67 HD3 :: 1.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.7(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 HN Overlap>> L7 L90 C Shift Assignments>> C :: 176.3 CA :: 56.4(D) CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.34(D) HA :: 4.30 HB2 :: 1.75 HB3 :: 1.75 HG2 :: 1.46 HG3 :: 1.36 HD2 :: 1.65 HD3 :: 1.65 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 Y 0.26 F 0.25 E 0.02 HN Overlap>> A31 C Shift Assignments>> C :: 175.6 CA :: 60.8(D) CB :: 38.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.23(D) HA :: 4.09 HB :: 1.76 HG12 :: 1.38 HG13 :: 1.14 HD1 :: 0.76 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.9(D) Ave N Shift Values>> N :: 121.6(4.72) D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.21 L 0.16 F 0.09 Y 0.08 K 0.07 R 0.01 C Shift Assignments>> C :: 175.9 CA :: 53.7(D) CB :: 40.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.45(D) HA :: 4.61 HB2 :: 2.73 HB3 :: 2.64 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.5(D) Ave N Shift Values>> N :: 120.73(4.2) H53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 K 0.17 H 0.17 W 0.12 E 0.11 R 0.11 L 0.04 M 0.04 I 0.01 HN Overlap>> H13 N29 C Shift Assignments>> C :: 174.3 CA :: 55.6(D) CB :: 28.9 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.53(D) HA :: 4.65 HB2 :: 3.29 HB3 :: 3.16 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.1(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.24 HN Overlap>> L5 C Shift Assignments>> C :: 177.9 CA :: 52.9(D) CB :: 19.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.34(D) HA :: 4.44 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6(D) Ave N Shift Values>> N :: 123.23(3.7) K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.22 Q 0.17 R 0.09 W 0.09 H 0.08 E 0.06 V 0.03 HN Overlap>> F17 Q65 C Shift Assignments>> C :: 176.7 CA :: 56.5(D) CB :: 32.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.28(D) HA :: 4.28 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.44 HG3 :: 1.44 HD2 :: 1.70 HD3 :: 1.70 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.0(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 W 0.06 I 0.05 K 0.03 R 0.02 M 0.02 Q 0.01 E 0.01 H 0.01 HN Overlap>> V48 L95 C Shift Assignments>> C :: 176.1 CA :: 62.4(D) CB :: 33.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.09(D) HA :: 4.05 HB :: 2.02 HG1 :: 0.90 HG2 :: 0.90 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 121.02(4.96) R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 W 0.14 E 0.14 M 0.12 Q 0.12 K 0.09 V 0.01 HN Overlap>> K49 C Shift Assignments>> C :: 176.2 CA :: 56.0(D) CB :: 30.8 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.43(D) HA :: 4.33 HB2 :: 1.78 HB3 :: 1.70 HG2 :: 1.58 HG3 :: 1.58 HD2 :: 3.20 HD3 :: 3.20 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.7(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 HN Overlap>> A31 C Shift Assignments>> C :: 176.5 CA :: 56.5(D) CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.34(D) HA :: 4.23 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 1.42 HG3 :: 1.29 HD2 :: 1.63 HD3 :: 1.63 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.8(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.17 K 0.17 W 0.12 E 0.11 R 0.11 M 0.04 L 0.04 I 0.01 C Shift Assignments>> C :: 174.3 CA :: 55.4 CB :: 29.0 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.59(D) HA :: 4.68 HB2 :: 3.26 HB3 :: 3.17 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.6(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 K 0.15 E 0.14 W 0.14 R 0.12 M 0.05 I 0.02 L 0.01 C Shift Assignments>> C :: 176.1 CA :: 56.3 CB :: 29.4 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.49(D) HA :: 4.33 HB2 :: 2.46 HB3 :: 2.57 HG2 :: 2.34 HG3 :: 2.34 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R61 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> Q22 R36 C Shift Assignments>> C :: 176.3 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.31(D) HA :: 4.29 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.63 HG3 :: 1.63 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 HN Overlap>> K79 C Shift Assignments>> C :: 176.2 CA :: 56.7 CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.33(D) HA :: 4.27 HB2 :: 1.77 HB3 :: 1.77 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.67 HD3 :: 1.67 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.4(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.32 F 0.32 I 0.11 D 0.08 L 0.07 K 0.02 N 0.02 E 0.01 C Shift Assignments>> C :: 175.5 CA :: 57.7(D) CB :: 39.6 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.27(D) HA :: 4.60 HB2 :: 3.12 HB3 :: 2.99 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.7(D) Ave N Shift Values>> N :: 120.69(4.18) L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 K 0.19 R 0.17 D 0.16 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.0 CA :: 55.3(D) CB :: 42.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.19(D) HA :: 4.27 HB2 :: 1.59 HB3 :: 1.59 HG :: 1.50 HD1 :: 0.85 HD2 :: 0.85 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.9(D) Ave N Shift Values>> N :: 121.98(4.07) Q65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 W 0.14 E 0.14 K 0.14 R 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> F17 K55 C Shift Assignments>> C :: 175.7 CA :: 56.0(D) CB :: 29.6 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.25(D) HA :: 4.27 HB2 :: 2.06 HB3 :: 1.95 HG2 :: 2.36 HG3 :: 2.36 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.1(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 M 0.21 C Shift Assignments>> C :: 177.7 CA :: 52.6(D) CB :: 19.2 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.26(D) HA :: 4.26 HB :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.5(D) Ave N Shift Values>> N :: 123.23(3.7) I67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 W 0.11 K 0.07 R 0.05 M 0.05 Q 0.04 E 0.03 H 0.02 I 0.01 C Shift Assignments>> C :: 176.3 CA :: 61.4(D) CB :: 32.8 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.02(D) HA :: 4.07 HB :: 1.78 HG2 :: 0.80 HG12 :: 1.35 HG13 :: 1.11 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.4(D) Ave N Shift Values>> N :: 121.6(4.72) H68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 K 0.21 Q 0.15 H 0.1 R 0.1 W 0.08 E 0.05 V 0.01 HN Overlap>> H15 C Shift Assignments>> C :: 174.2 CA :: 55.1(D) CB :: 32.8 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.52(D) HA :: 4.71 HB2 :: 3.25 HB3 :: 3.16 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 W 0.14 E 0.14 K 0.14 R 0.13 M 0.05 I 0.01 L 0.01 HN Overlap>> E76 C Shift Assignments>> C :: 175.8 CA :: 56.0(D) CB :: 29.6 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.40(D) HA :: 4.33 HB2 :: 2.06 HB3 :: 1.95 HG2 :: 2.33 HG3 :: 2.33 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 R 0.17 D 0.15 F 0.08 Y 0.06 N 0.01 HN Overlap>> K74 C Shift Assignments>> C :: 177.4 CA :: 55.5(D) CB :: 42.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.39(D) HA :: 4.31 HB2 :: 1.67 HB3 :: 1.67 HG :: 1.57 HD1 :: 0.88 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 121.98(4.07) R71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 W 0.14 E 0.14 Q 0.12 M 0.12 K 0.09 V 0.01 I 0.01 HN Overlap>> Q22 C Shift Assignments>> C :: 176.3 CA :: 56.3(D) CB :: 30.8 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.39(D) HA :: 4.33 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.62 HG3 :: 1.62 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.7 CA :: 58.3(D) CB :: 63.8 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.29(D) HA :: 4.45 HB2 :: 3.86 HB3 :: 3.86 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.0(D) Ave N Shift Values>> N :: 116.3(3.95) V73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.75 I 0.07 W 0.06 K 0.02 R 0.02 E 0.01 M 0.01 H 0.01 HN Overlap>> R36 C Shift Assignments>> C :: 176.4 CA :: 62.7(D) CB :: 32.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.16(D) HA :: 4.10 HB :: 2.10 HG1 :: 0.93 HG2 :: 0.81 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.2(D) Ave N Shift Values>> N :: 121.02(4.96) K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 M 0.21 Q 0.16 R 0.09 W 0.09 H 0.08 E 0.06 V 0.03 HN Overlap>> L70 A84 C Shift Assignments>> C :: 176.9 CA :: 56.8(D) CB :: 32.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.31(D) HA :: 4.26 HB2 :: 1.81 HB3 :: 1.71 HG2 :: 1.45 HG3 :: 1.35 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 D 0.06 W 0.06 E 0.06 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 HN Overlap>> M18 C Shift Assignments>> C :: 176.5 CA :: 55.9 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.33(D) HA :: 4.38 HB2 :: 2.06 HB3 :: 1.99 HG2 :: 2.60 HG3 :: 2.51 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.5(D) Ave N Shift Values>> N :: 120.1(3.88) E76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.16 K 0.15 E 0.14 W 0.14 R 0.12 M 0.04 I 0.02 L 0.01 HN Overlap>> Q69 C Shift Assignments>> C :: 176.4 CA :: 56.5 CB :: 29.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.37(D) HA :: 4.28 HB2 :: 2.11 HB3 :: 2.00 HG2 :: 2.38 HG3 :: 2.38 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.8(D) Ave N Shift Values>> N :: 120.68(3.68) Q77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 Q 0.16 R 0.14 W 0.14 E 0.14 K 0.13 M 0.06 I 0.01 L 0.01 C Shift Assignments>> C :: 175.8 CA :: 56.0(D) CB :: 29.7 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.39(D) HA :: 4.29 HB2 :: 2.08 HB3 :: 1.99 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.4(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 K 0.1 R 0.09 L 0.08 E 0.07 W 0.07 Y 0.06 F 0.06 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.5 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.50(D) HA :: 4.27 HB2 :: 1.75 HB3 :: 1.75 HG2 :: 1.65 HG3 :: 1.55 HD2 :: 3.18 HD3 :: 3.18 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.22 Q 0.19 R 0.08 W 0.08 H 0.07 E 0.05 V 0.03 HN Overlap>> K62 D89 C Shift Assignments>> C :: 176.7 CA :: 56.5(D) CB :: 33.1 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.33 HA :: 4.25 HB2 :: 1.79 HB3 :: 1.79 HG2 :: 1.41 HG3 :: 1.41 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.5 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.2 R 0.17 D 0.15 F 0.08 Y 0.06 N 0.01 HN Overlap>> K9 K25 C Shift Assignments>> C :: 177.3 CA :: 55.5(D) CB :: 42.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.27(D) HA :: 4.30 HB2 :: 1.65 HB3 :: 1.65 HG :: 1.54 HD1 :: 0.86 HD2 :: 0.86 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.4(D) Ave N Shift Values>> N :: 121.98(4.07) N81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.21 Y 0.1 F 0.08 L 0.04 E 0.01 C Shift Assignments>> C :: 175.1 CA :: 53.4(D) CB :: 38.7 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.42(D) HA :: 4.70 HB2 :: 2.86 HB3 :: 2.76 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.28 Y 0.11 F 0.11 L 0.11 K 0.02 C Shift Assignments>> C :: 176.0 CA :: 54.1(D) CB :: 39.8 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.35(D) HA :: 4.66 HB2 :: 2.80 HB3 :: 2.80 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.0(D) Ave N Shift Values>> N :: 120.73(4.2) Q83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.16 W 0.13 E 0.13 R 0.12 M 0.04 L 0.02 I 0.02 C Shift Assignments>> C :: 176.0 CA :: 56.3(D) CB :: 29.2 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.33(D) HA :: 4.31 HB2 :: 2.15 HB3 :: 2.00 HG2 :: 2.36 HG3 :: 2.36 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.5(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.26 HN Overlap>> K74 C Shift Assignments>> C :: 177.7 CA :: 53.1(D) CB :: 19.1 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.27(D) HA :: 4.26 HB :: 1.38 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.2(D) Ave N Shift Values>> N :: 123.23(3.7) N85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 D 0.19 Y 0.11 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.6 CA :: 53.5(D) CB :: 38.5 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.36(D) HA :: 4.71 HB2 :: 2.85 HB3 :: 2.76 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.6(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> T24 T38 C Shift Assignments>> C :: 174.7 CA :: 62.5(D) CB :: 69.7 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.06(D) HA :: 4.26 HG2 :: 1.20 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.3(D) Ave N Shift Values>> N :: 115.7(5.05) L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.22 D 0.15 R 0.14 F 0.1 Y 0.08 N 0.02 C Shift Assignments>> C :: 177.8 CA :: 55.8(D) CB :: 42.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.21(D) HA :: 4.33 HB2 :: 1.68 HB3 :: 1.68 HG :: 1.58 HD1 :: 0.90 HD2 :: 0.90 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.1(D) Ave N Shift Values>> N :: 121.98(4.07) V88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.77 I 0.07 W 0.06 K 0.02 R 0.02 E 0.01 M 0.01 HN Overlap>> V34 C Shift Assignments>> C :: 176.0 CA :: 62.9(D) CB :: 32.6 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.95(D) HA :: 4.01 HB :: 2.04 HG1 :: 0.91 HG2 :: 0.91 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.4(D) Ave N Shift Values>> N :: 121.02(4.96) D89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.3 Y 0.12 F 0.11 L 0.09 K 0.01 HN Overlap>> E6 K79 C Shift Assignments>> C :: 176.4 CA :: 54.0(D) CB :: 39.6 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.36(D) HA :: 4.64 HB2 :: 2.88 HB3 :: 2.73 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.6(D) Ave N Shift Values>> N :: 120.73(4.2) L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.23 R 0.14 D 0.13 F 0.11 Y 0.08 N 0.01 I 0.01 HN Overlap>> K50 C Shift Assignments>> C :: 177.9 CA :: 56.2(D) CB :: 42.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.27(D) HA :: 4.27 HB2 :: 1.68 HB3 :: 1.68 HG :: 1.58 HD1 :: 0.88 HD2 :: 0.88 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.8(D) Ave N Shift Values>> N :: 121.98(4.07) A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 M 0.32 HN Overlap>> K46 C Shift Assignments>> C :: 178.8 CA :: 53.5(D) CB :: 18.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.17(D) HA :: 4.24 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1(D) Ave N Shift Values>> N :: 123.23(3.7) K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 M 0.19 Q 0.13 R 0.11 W 0.11 H 0.09 E 0.07 V 0.05 C Shift Assignments>> C :: 177.7 CA :: 57.3(D) CB :: 32.7 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.05(D) HA :: 4.23 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.41 HG3 :: 1.41 HD2 :: 1.51 HD3 :: 1.51 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.1(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.3 CA :: 63.1(D) CB :: 69.5 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.00(D) HA :: 4.25 HB :: 4.21 HG2 :: 1.20 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.1(D) Ave N Shift Values>> N :: 115.7(5.05) Q94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.16 H 0.15 W 0.14 E 0.14 R 0.11 M 0.03 I 0.02 L 0.02 HN Overlap>> K12 C Shift Assignments>> C :: 176.5 CA :: 56.6(D) CB :: 29.1 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.27(D) HA :: 4.28 HB2 :: 2.11 HB3 :: 2.02 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.9(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.21 R 0.18 D 0.14 F 0.09 Y 0.07 N 0.01 HN Overlap>> V48 V56 C Shift Assignments>> C :: 177.7 CA :: 55.8(D) CB :: 42.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.05(D) HA :: 4.24 HB2 :: 1.65 HB3 :: 1.65 HG :: 1.54 HD1 :: 0.83 HD2 :: 0.83 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.1(D) Ave N Shift Values>> N :: 121.98(4.07) E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 K 0.15 E 0.14 W 0.14 R 0.12 M 0.04 I 0.02 L 0.02 HN Overlap>> E11 C Shift Assignments>> C :: 176.4 CA :: 56.4(D) CB :: 29.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.11(D) HA :: 4.19 HB2 :: 1.91 HB3 :: 1.91 HG2 :: 2.32 HG3 :: 2.32 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.7(D) Ave N Shift Values>> N :: 120.68(3.68) H97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.1 H 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 N 0.05 E 0.05 Y 0.04 A 0.04 F 0.04 S 0.01 C Shift Assignments>> CA :: 55.3 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.36(D) HA :: 4.66 HB2 :: 3.21 HB3 :: 3.09 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.4(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.1 D 0.09 Q 0.08 K 0.07 R 0.07 W 0.05 E 0.05 Y 0.04 N 0.04 F 0.04 A 0.04 S 0.01 C Shift Assignments>> CA :: 55.4 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.47 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.9 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.07 K 0.07 N 0.05 W 0.05 A 0.05 E 0.04 Y 0.04 F 0.04 S 0.01 HN Overlap>> H101 C Shift Assignments>> CA :: 55.2 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.57 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 L 0.11 H 0.1 Q 0.09 K 0.08 R 0.08 D 0.06 W 0.06 E 0.06 Y 0.05 F 0.05 S 0.02 N 0.02 A 0.02 HN Overlap>> H100 C Shift Assignments>> CA :: 55.9 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.62 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.4 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 7 #Clerical: 95 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 178 #Duplicate: 82 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 425 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 5 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G2 CA = 43.3(D), Expected = 45.33, Std = 1.4200, ChiSquare = 1.5284e-01 R3 CA = 56.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8738e-01 R3 H = 8.62(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.2652e-01 R3 N = 121.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.0002e-01 K4 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K4 H = 8.52(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.3925e-01 K4 N = 123.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.2066e-01 L5 H = 8.36(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.2947e-01 L5 N = 124.6(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.1975e-01 E6 CA = 55.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.8764e-01 E6 H = 8.40(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.2165e-01 E6 N = 122.6(D), Expected = 120.68, Std = 3.6800, ChiSquare = 6.0185e-01 L7 CA = 55.4(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.0993e-01 L7 H = 8.35(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.4148e-01 L7 N = 123.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.3711e-01 T8 CA = 62.0(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.5602e-01 T8 H = 8.14(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.3392e-01 T8 N = 114.8(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.5855e-01 K9 CA = 56.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.7873e-01 K9 H = 8.36(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.2684e-01 K9 N = 123.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.8575e-01 A10 CA = 52.7(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.2330e-01 A10 H = 8.25(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3359e-01 A10 N = 124.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.3142e-01 E11 CA = 56.1(D), Expected = 57.42, Std = 2.1900, ChiSquare = 5.4668e-01 E11 H = 8.17(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.8048e-01 E11 N = 119.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.9000e-01 K12 CA = 56.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.4496e-01 K12 H = 8.24(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.7507e-01 K12 N = 121.9(D), Expected = 121.16, Std = 4.1100, ChiSquare = 8.5711e-01 H13 CA = 55.0(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.6811e-01 H13 H = 8.55(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.8518e-01 H13 N = 120.1(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.8391e-01 V14 CA = 62.5(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.9475e-01 V14 H = 8.14(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.3268e-01 V14 N = 120.8(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.6462e-01 H15 CA = 54.9(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.4021e-01 H15 H = 8.63(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.0759e-01 H15 N = 121.9(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.8627e-01 N16 CA = 53.3(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.4657e-01 N16 H = 8.43(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.2645e-01 N16 N = 121.0(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.7224e-01 F17 H = 8.28(D), Expected = 8.42, Std = 0.7400, ChiSquare = 8.4994e-01 F17 N = 121.1(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.2186e-01 M19 CA = 55.7(D), Expected = 56.16, Std = 2.3400, ChiSquare = 8.4416e-01 M19 H = 8.18(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9393e-01 M19 N = 120.7(D), Expected = 120.10, Std = 3.8800, ChiSquare = 8.7711e-01 D20 CA = 54.0(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.0443e-01 D20 H = 8.40(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.0226e-01 D20 N = 120.7(D), Expected = 120.73, Std = 4.2000, ChiSquare = 9.9430e-01 T21 CA = 62.4(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.2677e-01 T21 H = 8.13(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.2135e-01 T21 N = 114.6(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.2757e-01 Q22 CA = 56.3(D), Expected = 56.62, Std = 2.1900, ChiSquare = 8.8383e-01 Q22 H = 8.42(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.4701e-01 Q22 N = 122.2(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.6964e-01 L23 CA = 55.7(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.8195e-01 L23 H = 8.17(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3868e-01 L23 N = 122.4(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.1781e-01 T24 CA = 62.3(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.5602e-01 T24 H = 8.00(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.6321e-01 T24 N = 114.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8161e-01 K25 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K25 H = 8.20(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.7507e-01 K25 N = 123.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.8575e-01 R26 CA = 56.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8738e-01 R26 H = 8.12(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.4148e-01 R26 N = 121.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.0002e-01 V27 CA = 62.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.7901e-01 V27 H = 8.16(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.5472e-01 V27 N = 121.5(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.2291e-01 K28 CA = 56.7(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.5039e-01 K28 H = 8.42(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.5466e-01 K28 N = 125.0(D), Expected = 121.16, Std = 4.1100, ChiSquare = 3.5015e-01 N29 CA = 53.2(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.0563e-01 N29 H = 8.43(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.2645e-01 N29 N = 120.1(D), Expected = 119.13, Std = 4.4200, ChiSquare = 8.2629e-01 A30 CA = 52.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.9956e-01 A30 H = 8.30(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6763e-01 A30 N = 124.9(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.5174e-01 A31 CA = 52.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.4867e-01 A31 H = 8.23(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 A31 N = 122.8(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.0748e-01 A32 CA = 52.8(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.6127e-01 A32 H = 8.13(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 A32 N = 122.4(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.2250e-01 N33 CA = 53.4(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.8766e-01 N33 H = 8.27(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.7773e-01 N33 N = 117.4(D), Expected = 119.13, Std = 4.4200, ChiSquare = 6.9550e-01 V34 CA = 62.6(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.6851e-01 V34 H = 7.94(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.2204e-01 V34 N = 120.3(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.8458e-01 L35 H = 8.15(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.1424e-01 L35 N = 124.5(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.3581e-01 R36 CA = 55.9(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.6307e-01 R36 H = 8.26(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.7341e-01 R36 N = 122.2(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.8350e-01 E37 CA = 55.9(D), Expected = 57.42, Std = 2.1900, ChiSquare = 4.8764e-01 E37 H = 8.22(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.4405e-01 E37 N = 120.4(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.3935e-01 T38 CA = 62.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.8533e-01 T38 H = 8.03(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.9868e-01 T38 N = 114.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8161e-01 W39 CA = 56.9(D), Expected = 57.71, Std = 2.6500, ChiSquare = 7.5986e-01 W39 H = 7.90(D), Expected = 8.35, Std = 0.8400, ChiSquare = 5.9216e-01 W39 N = 121.8(D), Expected = 121.87, Std = 4.5800, ChiSquare = 9.8781e-01 L40 H = 7.82(D), Expected = 8.22, Std = 0.6500, ChiSquare = 5.3830e-01 L40 N = 122.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.7648e-01 I41 CA = 60.4(D), Expected = 61.59, Std = 2.7800, ChiSquare = 6.6861e-01 I41 H = 7.77(D), Expected = 8.26, Std = 0.7100, ChiSquare = 4.9011e-01 I41 N = 119.8(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.0294e-01 Y42 CA = 58.1(D), Expected = 58.02, Std = 2.6400, ChiSquare = 9.7583e-01 Y42 H = 8.10(D), Expected = 8.37, Std = 0.7500, ChiSquare = 7.1885e-01 Y42 N = 123.2(D), Expected = 120.79, Std = 4.6900, ChiSquare = 6.0735e-01 K43 CA = 55.9(D), Expected = 56.84, Std = 2.2500, ChiSquare = 6.7611e-01 K43 H = 8.15(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.1291e-01 K43 N = 122.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6288e-01 N44 CA = 53.2(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.0563e-01 N44 H = 8.30(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.1424e-01 N44 N = 119.1(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.9458e-01 T45 CA = 62.2(D), Expected = 62.15, Std = 2.7200, ChiSquare = 9.8533e-01 T45 H = 8.09(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.7157e-01 T45 N = 114.8(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.5855e-01 K46 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K46 H = 8.23(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.8753e-01 K46 N = 123.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.3691e-01 L47 CA = 55.1(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.0346e-01 L47 H = 8.10(D), Expected = 8.22, Std = 0.6500, ChiSquare = 8.5353e-01 L47 N = 123.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.6436e-01 V48 CA = 62.3(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.5278e-01 V48 H = 8.09(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.7818e-01 V48 N = 122.0(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.4337e-01 K49 H = 8.34(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.5127e-01 K49 N = 125.7(D), Expected = 121.16, Std = 4.1100, ChiSquare = 2.6932e-01 K50 CA = 56.4(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.4496e-01 K50 H = 8.34(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.5127e-01 K50 N = 123.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.2066e-01 I51 CA = 60.8(D), Expected = 61.59, Std = 2.7800, ChiSquare = 7.7628e-01 I51 H = 8.23(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.6630e-01 I51 N = 122.9(D), Expected = 121.60, Std = 4.7200, ChiSquare = 7.8299e-01 D52 CA = 53.7(D), Expected = 54.52, Std = 2.1000, ChiSquare = 6.9618e-01 D52 H = 8.45(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.3326e-01 D52 N = 124.5(D), Expected = 120.73, Std = 4.2000, ChiSquare = 3.6939e-01 H53 CA = 55.6(D), Expected = 56.37, Std = 2.4000, ChiSquare = 7.4834e-01 H53 H = 8.53(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.0515e-01 H53 N = 120.1(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.8391e-01 A54 CA = 52.9(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.9956e-01 A54 H = 8.34(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 A54 N = 124.6(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.1118e-01 K55 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K55 H = 8.28(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.2531e-01 K55 N = 121.0(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.6895e-01 V56 CA = 62.4(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.7901e-01 V56 H = 8.09(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.7818e-01 V56 N = 122.1(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.2763e-01 R57 CA = 56.0(D), Expected = 56.95, Std = 2.4100, ChiSquare = 6.9344e-01 R57 H = 8.43(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.5150e-01 R57 N = 125.7(D), Expected = 120.61, Std = 3.9000, ChiSquare = 1.9185e-01 K58 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 K58 H = 8.34(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.5127e-01 K58 N = 122.8(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.8987e-01 H59 H = 8.59(D), Expected = 8.25, Std = 0.7400, ChiSquare = 6.4590e-01 H59 N = 119.6(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.7176e-01 Q60 H = 8.49(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.6321e-01 Q60 N = 122.4(D), Expected = 119.92, Std = 4.0100, ChiSquare = 5.3628e-01 R61 H = 8.31(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.0712e-01 R61 N = 122.2(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.8350e-01 K62 H = 8.33(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.6354e-01 K62 N = 122.4(D), Expected = 121.16, Std = 4.1100, ChiSquare = 7.6288e-01 F63 CA = 57.7(D), Expected = 58.25, Std = 2.7300, ChiSquare = 8.4033e-01 F63 H = 8.27(D), Expected = 8.42, Std = 0.7400, ChiSquare = 8.3937e-01 F63 N = 121.7(D), Expected = 120.69, Std = 4.1800, ChiSquare = 8.0907e-01 L64 CA = 55.3(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.7416e-01 L64 H = 8.19(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.6319e-01 L64 N = 123.9(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.3711e-01 Q65 CA = 56.0(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.7710e-01 Q65 H = 8.25(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.6141e-01 Q65 N = 121.1(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.6856e-01 A66 CA = 52.6(D), Expected = 53.16, Std = 2.0600, ChiSquare = 7.8574e-01 A66 H = 8.26(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2034e-01 A66 N = 125.5(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.3954e-01 I67 CA = 61.4(D), Expected = 61.59, Std = 2.7800, ChiSquare = 9.4551e-01 I67 H = 8.02(D), Expected = 8.26, Std = 0.7100, ChiSquare = 7.3534e-01 I67 N = 119.4(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.4114e-01 H68 CA = 55.1(D), Expected = 56.37, Std = 2.4000, ChiSquare = 5.9669e-01 H68 H = 8.52(D), Expected = 8.25, Std = 0.7400, ChiSquare = 7.1521e-01 H68 N = 121.9(D), Expected = 119.44, Std = 4.5200, ChiSquare = 5.8627e-01 Q69 CA = 56.0(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.7710e-01 Q69 H = 8.40(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.7157e-01 Q69 N = 121.9(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.2147e-01 L70 CA = 55.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L70 H = 8.39(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L70 N = 124.2(D), Expected = 121.98, Std = 4.0700, ChiSquare = 5.8544e-01 R71 CA = 56.3(D), Expected = 56.95, Std = 2.4100, ChiSquare = 7.8738e-01 R71 H = 8.39(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.0259e-01 R71 N = 122.1(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.0242e-01 S72 CA = 58.3(D), Expected = 58.57, Std = 2.1200, ChiSquare = 8.9866e-01 S72 H = 8.29(D), Expected = 8.29, Std = 0.6200, ChiSquare = 1.0000e+00 S72 N = 117.0(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.5934e-01 V73 CA = 62.7(D), Expected = 62.48, Std = 3.0400, ChiSquare = 9.4231e-01 V73 H = 8.16(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.5472e-01 V73 N = 122.2(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.1196e-01 K74 CA = 56.8(D), Expected = 56.84, Std = 2.2500, ChiSquare = 9.8582e-01 K74 H = 8.31(D), Expected = 8.22, Std = 0.6400, ChiSquare = 8.8817e-01 K74 N = 124.2(D), Expected = 121.16, Std = 4.1100, ChiSquare = 4.5951e-01 M75 H = 8.33(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.0712e-01 M75 N = 121.5(D), Expected = 120.10, Std = 3.8800, ChiSquare = 7.1823e-01 E76 H = 8.37(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.6078e-01 E76 N = 121.8(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.6086e-01 Q77 CA = 56.0(D), Expected = 56.62, Std = 2.1900, ChiSquare = 7.7710e-01 Q77 H = 8.39(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.8394e-01 Q77 N = 121.4(D), Expected = 119.92, Std = 4.0100, ChiSquare = 7.1207e-01 R78 H = 8.50(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.6477e-01 R78 N = 123.4(D), Expected = 120.61, Std = 3.9000, ChiSquare = 4.7437e-01 K79 CA = 56.5(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.7989e-01 L80 CA = 55.5(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L80 H = 8.27(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3868e-01 L80 N = 123.4(D), Expected = 121.98, Std = 4.0700, ChiSquare = 7.2717e-01 N81 CA = 53.4(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.8766e-01 N81 H = 8.42(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.3868e-01 N81 N = 119.1(D), Expected = 119.13, Std = 4.4200, ChiSquare = 9.9458e-01 D82 CA = 54.1(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.4148e-01 D82 H = 8.35(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.7201e-01 D82 N = 120.0(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.6202e-01 Q83 CA = 56.3(D), Expected = 56.62, Std = 2.1900, ChiSquare = 8.8383e-01 Q83 H = 8.33(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.5918e-01 Q83 N = 120.5(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.8500e-01 A84 CA = 53.1(D), Expected = 53.16, Std = 2.0600, ChiSquare = 9.7676e-01 A84 H = 8.27(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 A84 N = 124.2(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.9320e-01 N85 CA = 53.5(D), Expected = 53.43, Std = 1.9400, ChiSquare = 9.7122e-01 N85 H = 8.36(D), Expected = 8.37, Std = 0.6500, ChiSquare = 9.8773e-01 N85 N = 117.6(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.2923e-01 T86 CA = 62.5(D), Expected = 62.15, Std = 2.7200, ChiSquare = 8.9761e-01 T86 H = 8.06(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.3483e-01 T86 N = 114.3(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.8161e-01 L87 CA = 55.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L87 H = 8.21(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.8773e-01 L87 N = 124.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.0245e-01 V88 CA = 62.9(D), Expected = 62.48, Std = 3.0400, ChiSquare = 8.9012e-01 V88 H = 7.95(D), Expected = 8.29, Std = 0.7100, ChiSquare = 6.3203e-01 V88 N = 120.4(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.0052e-01 D89 CA = 54.0(D), Expected = 54.52, Std = 2.1000, ChiSquare = 8.0443e-01 D89 H = 8.36(D), Expected = 8.33, Std = 0.5700, ChiSquare = 9.5803e-01 D89 N = 122.6(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.5615e-01 L90 CA = 56.2(D), Expected = 55.65, Std = 2.2100, ChiSquare = 8.0346e-01 L90 H = 8.27(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.3868e-01 L90 N = 123.8(D), Expected = 121.98, Std = 4.0700, ChiSquare = 6.5475e-01 A91 CA = 53.5(D), Expected = 53.16, Std = 2.0600, ChiSquare = 8.6891e-01 A91 H = 8.17(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6012e-01 A91 N = 123.1(D), Expected = 123.23, Std = 3.7000, ChiSquare = 9.7197e-01 K92 CA = 57.3(D), Expected = 56.84, Std = 2.2500, ChiSquare = 8.3801e-01 K92 H = 8.05(D), Expected = 8.22, Std = 0.6400, ChiSquare = 7.9053e-01 K92 N = 119.1(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.1622e-01 T93 CA = 63.1(D), Expected = 62.15, Std = 2.7200, ChiSquare = 7.2689e-01 T93 H = 8.00(D), Expected = 8.27, Std = 0.6200, ChiSquare = 6.6321e-01 T93 N = 114.1(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.5137e-01 Q94 CA = 56.6(D), Expected = 56.62, Std = 2.1900, ChiSquare = 9.9271e-01 Q94 H = 8.27(D), Expected = 8.22, Std = 0.6200, ChiSquare = 9.3572e-01 Q94 N = 121.9(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.2147e-01 L95 CA = 55.8(D), Expected = 55.65, Std = 2.2100, ChiSquare = 9.4589e-01 L95 H = 8.05(D), Expected = 8.22, Std = 0.6500, ChiSquare = 7.9368e-01 L95 N = 122.1(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.7648e-01 E96 CA = 56.4(D), Expected = 57.42, Std = 2.1900, ChiSquare = 6.4139e-01 E96 H = 8.11(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.0614e-01 E96 N = 119.7(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.9000e-01 H97 H = 8.36(D), Expected = 8.25, Std = 0.7400, ChiSquare = 8.8183e-01 H97 N = 118.4(D), Expected = 119.44, Std = 4.5200, ChiSquare = 8.1802e-01