Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 C Shift Assignments>> C :: 173.97(D) CA :: 58.9(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.N3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 175.07(D) CA :: 53.2(D) CB :: 39 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 :: 8.69(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 :: 120.332(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.08 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.A21 1.A21 C Shift Assignments>> C :: 178.17(D) CA :: 55.7(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.974(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 :: 119.902(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 175.54 CA :: 59(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 :: 8.744(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 :: 121.882(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> N 0.21 A 0.18 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 F 0.02 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.51(D) CA :: 53.7(D) 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) 1.F7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.23 C 0.2 I 0.17 E 0.05 D 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 174.38 CA :: 58.6(D) CB :: 38.3 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.673(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 :: 123.362(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.13 L 0.12 M 0.09 H 0.08 Q 0.07 R 0.07 N 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>> C :: 177.67(D) CA :: 55(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) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.48(D) CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.813(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.562(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 178.11(D) CA :: 52.7(D) CB :: 18.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.562(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.442(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G14 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 :: 174.59(D) CA :: 45.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.591(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.672(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.08 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.V98 1.V98 C Shift Assignments>> C :: 175.61(D) CA :: 55.7(D) 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 :: 8.186(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 :: 121.052(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.D16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.25 K 0.16 F 0.08 Y 0.05 N 0.05 C 0.05 R 0.04 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 176.54 CA :: 54.5(D) CB :: 41.7 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 :: 8.479(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 :: 119.272(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 C 0.09 P 0.04 A 0.04 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.809(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.102(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.D81 1.D81 C Shift Assignments>> CA :: 60(D) 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 :: 8.577(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 :: 122.052(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.H19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> CA :: 55.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.998(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.912(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 C 0.2 W 0.14 K 0.09 E 0.08 Q 0.06 H 0.06 R 0.05 V 0.01 P 0.01 HN Overlap>> 1.S68 1.S68 C Shift Assignments>> C :: 179.23(D) CA :: 60.2(D) CB :: 28.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.396(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 :: 115.482(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 E 0.11 I 0.11 K 0.1 H 0.08 R 0.08 Q 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 177.8(D) CA :: 59.7(D) CB :: 29.4 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 :: 8.078(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 :: 123.022(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.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.2 Y 0.15 L 0.12 C 0.09 R 0.07 D 0.04 I 0.04 C Shift Assignments>> C :: 180.39(D) CA :: 58.4(D) CB :: 41.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.478(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 :: 120.482(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 R 0.19 F 0.17 L 0.13 Y 0.11 C 0.08 D 0.03 I 0.03 G 0.01 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 177.86(D) CA :: 58.6(D) CB :: 42.5 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.405(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 :: 119.242(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.15(D) CA :: 67.2(D) CB :: 69.4 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.073(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 :: 116.132(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.16 I 0.13 E 0.11 K 0.1 H 0.08 Q 0.08 R 0.07 V 0.02 M 0.01 HN Overlap>> 1.R163 1.R163 C Shift Assignments>> C :: 178.67(D) CA :: 59.8(D) CB :: 29.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.22(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.732(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 Y 0.15 C 0.15 F 0.15 HN Overlap>> 1.Q133 1.Q133 C Shift Assignments>> C :: 179.35(D) CA :: 62.1(D) CB :: 39.2 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 :: 7.923(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 :: 118.112(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 178.06(D) CA :: 63.8(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.507(D) 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 :: 118.672(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.65 C 0.21 V 0.05 Y 0.04 F 0.02 C Shift Assignments>> C :: 178.74(D) CA :: 64.3(D) CB :: 37.1 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 :: 8.081(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 :: 120.782(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E31 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 0.1 I 0.09 H 0.09 Q 0.09 R 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 178.51(D) CA :: 59.4(D) CB :: 29.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.924(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 :: 119.062(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.01(D) CA :: 61.9(D) CB :: 70.9 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 :: 7.557(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 :: 104.332(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.66(D) CA :: 46.9(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.426(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.472(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> C :: 175.11 CA :: 51.1(D) CB :: 19.1 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.251(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.152(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.23 V 0.23 I 0.19 P 0.12 S 0.07 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 178.27(D) CA :: 62.3(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.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.21 D 0.17 L 0.14 C 0.1 N 0.04 K 0.04 I 0.03 C Shift Assignments>> C :: 178.89(D) CA :: 56.6(D) CB :: 40.3 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.024(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 :: 121.812(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.03(D) CA :: 45.8(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.619(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.302(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 C 0.05 F 0.02 Y 0.02 S 0.02 W 0.01 HN Overlap>> 1.A229 1.A229 C Shift Assignments>> CA :: 62.3(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.85(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 :: 122.992(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.09 K 0.09 F 0.08 C 0.08 R 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 HN Overlap>> 1.Q115 1.Q115 C Shift Assignments>> C :: 171.23(D) CA :: 57.4(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 :: 8.316(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 :: 119.602(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L40 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 0.02 Y 0.01 C Shift Assignments>> C :: 174.56(D) CA :: 54.5(D) CB :: 44.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.097(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 :: 114.332(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.21 I 0.16 E 0.07 Y 0.04 K 0.03 M 0.02 F 0.02 Q 0.01 C Shift Assignments>> C :: 173.02 CA :: 61.4(D) CB :: 35.3 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.235(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 :: 119.622(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.21 Q 0.2 K 0.13 H 0.05 R 0.04 W 0.02 E 0.01 N 0.01 HN Overlap>> 1.R69 1.R69 C Shift Assignments>> C :: 174.52(D) CA :: 53.2(D) CB :: 33.9 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 :: 8.646 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 :: 123.7 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.E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 K 0.17 Q 0.14 M 0.12 V 0.1 R 0.05 W 0.05 H 0.04 E 0.02 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> C :: 175.96(D) CA :: 58.8(D) CB :: 33.5 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 :: 8.729(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 :: 121.872(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.49 CA :: 57.9(D) CB :: 63.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.043(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 :: 117.382(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E45 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 177.21(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.218(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 :: 128.612(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.25 V 0.24 T 0.17 P 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 174.13(D) CA :: 65.1(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.396(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 :: 115.832(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.22 C 0.15 D 0.12 N 0.11 L 0.06 I 0.04 E 0.01 C Shift Assignments>> C :: 174.26(D) CA :: 56.2(D) CB :: 39 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 :: 7.946(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 :: 123.782(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 P 0.37 C 0.12 I 0.07 W 0.01 C Shift Assignments>> C :: 177.93(D) CA :: 65.2(D) CB :: 30.9 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 :: 8.018(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 :: 123.272(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.15(D) CA :: 45.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.005(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.392(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.26 K 0.11 N 0.08 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.02(D) CA :: 53.1(D) CB :: 41.9 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.977(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 :: 120.232(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 L 0.18 F 0.15 R 0.12 Y 0.11 D 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 174.16(D) CA :: 57.4(D) CB :: 42.1 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 :: 8.889(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 :: 116.832(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.13(D) CA :: 62.4(D) CB :: 70.5 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 :: 9.603(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 :: 118.832(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L53 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 174.43(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 :: 9.395(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 :: 132.412(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.43(D) CA :: 57.9(D) CB :: 64.6 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.165(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 :: 124.962(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.29 R 0.21 D 0.15 K 0.14 F 0.07 C 0.04 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 172.48(D) CA :: 55.3(D) CB :: 42.7 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 :: 8.842(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 :: 118.362(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W56 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 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> C :: 175.46(D) CA :: 55.5(D) 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 :: 8.945(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 :: 123.042(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 R 0.14 C 0.13 H 0.13 K 0.13 W 0.1 E 0.09 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.99(D) CA :: 56(D) CB :: 31.7 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 :: 8.873(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 :: 127.332(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.N58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 C 0.17 E 0.09 Y 0.08 F 0.06 M 0.05 D 0.04 L 0.01 C Shift Assignments>> C :: 175.1(D) CA :: 53.8(D) CB :: 37.3 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.399(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 :: 128.452(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G59 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 :: 172.26(D) CA :: 45.7(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.974(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.082(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.2 M 0.2 Q 0.09 K 0.09 N 0.05 Y 0.04 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 172.99(D) CA :: 55(D) CB :: 35.5 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 :: 6.797(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 :: 118.622(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 C 0.24 P 0.16 W 0.06 K 0.04 R 0.03 H 0.02 M 0.02 E 0.02 Q 0.01 C Shift Assignments>> CA :: 61.5(D) CB :: 32.4 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.255(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 :: 119.952(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 C 0.15 M 0.12 Q 0.11 W 0.11 E 0.07 K 0.05 C Shift Assignments>> C :: 172.94(D) CA :: 53.1(D) CB :: 30.5 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.583(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 :: 126.862(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.22 C 0.18 K 0.16 H 0.05 R 0.04 E 0.02 W 0.02 C Shift Assignments>> C :: 176.51(D) CA :: 54.8(D) CB :: 33.9 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 :: 8.236(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 :: 118.562(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 R 0.13 K 0.12 M 0.12 W 0.12 H 0.12 E 0.1 Q 0.06 V 0.03 C Shift Assignments>> C :: 172.56(D) CA :: 57.6(D) CB :: 31.6 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.821(D) 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 :: 121.152(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 C 0.14 R 0.14 H 0.13 K 0.12 W 0.11 E 0.1 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.69(D) CA :: 56.8(D) CB :: 31.6 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 :: 8.776(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 :: 126.812(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.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.21 C 0.18 F 0.18 E 0.01 C Shift Assignments>> C :: 175.19 CA :: 60.8(D) CB :: 38.5 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 :: 9.127(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 :: 126.532(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 C Shift Assignments>> C :: 174.41(D) CA :: 55.5(D) CB :: 29.7 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.611(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 :: 126.142(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.E22 1.E22 C Shift Assignments>> C :: 174.42(D) CA :: 56.3(D) CB :: 65.9 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.434(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 :: 115.532(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.2 K 0.17 C 0.16 H 0.06 R 0.06 W 0.03 E 0.02 HN Overlap>> 1.R42 1.R42 C Shift Assignments>> C :: 174.51(D) CA :: 54.9(D) CB :: 33.4 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 :: 8.597(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 :: 123.692(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.Q70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 K 0.12 E 0.11 C 0.11 M 0.05 C Shift Assignments>> C :: 175.18(D) CA :: 55.2(D) CB :: 29.6 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 :: 8.742(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 :: 122.162(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.07 Y 0.05 C 0.04 R 0.03 C Shift Assignments>> C :: 175.46(D) CA :: 53.8(D) CB :: 41.6 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 :: 8.527(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 :: 123.972(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.67 M 0.3 C 0.01 C Shift Assignments>> C :: 177.66(D) CA :: 52.9(D) CB :: 17.6 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.884(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.082(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.06(D) CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.332(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.732(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L217 1.L217 C Shift Assignments>> C :: 172.01 CA :: 59.5(D) CB :: 70.3 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 :: 7.822(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 :: 116.702(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P75 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.18(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.K76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 C 0.24 E 0.16 M 0.16 Y 0.05 K 0.04 Q 0.03 F 0.03 C Shift Assignments>> C :: 175.71(D) CA :: 53.6(D) CB :: 36.1 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.121(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 :: 118.802(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.27 F 0.07 D 0.06 G 0.06 C 0.06 K 0.05 Y 0.04 C Shift Assignments>> C :: 176.18(D) CA :: 56.6(D) CB :: 43.5 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.067(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 :: 117.292(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.25 C 0.11 L 0.1 D 0.08 I 0.06 K 0.06 N 0.01 HN Overlap>> 1.G177 1.G177 C Shift Assignments>> C :: 173.42 CA :: 57.8(D) CB :: 40.5 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.92(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 :: 116.072(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L79 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 177.81(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 :: 10.105(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 :: 121.882(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 I 0.11 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.12(D) CA :: 60(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.818(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 :: 113.332(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.23 D 0.15 C 0.13 L 0.09 N 0.09 I 0.03 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 175.18(D) CA :: 56.3(D) CB :: 39.5 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.533(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 :: 122.152(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 C 0.13 D 0.09 Y 0.09 F 0.07 E 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 174.54(D) CA :: 53.6(D) CB :: 38 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 :: 7.94(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 :: 114.132(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.24 D 0.15 K 0.1 F 0.06 C 0.04 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 172.42(D) CA :: 55.1(D) CB :: 42.9 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.685(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 :: 124.902(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.24 K 0.11 Q 0.08 M 0.06 W 0.04 R 0.03 H 0.02 E 0.01 P 0.01 I 0.01 C Shift Assignments>> C :: 175.27(D) CA :: 60.2(D) CB :: 33.6 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 :: 120.692(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.1 F 0.08 C 0.08 K 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 175.96(D) CA :: 57.5(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 :: 9.353(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 :: 122.192(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 D 0.2 K 0.19 F 0.11 Y 0.08 C 0.05 R 0.04 N 0.03 C Shift Assignments>> C :: 175.57(D) CA :: 55.6(D) CB :: 41.6 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 :: 9.92(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 :: 119.902(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 173.61(D) CA :: 57.2(D) CB :: 66.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.67(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 :: 108.642(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 HN Overlap>> 1.I212 1.I212 C Shift Assignments>> C :: 177.82(D) CA :: 57.2(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 :: 8.482(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 :: 122.652(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.23 T 0.23 I 0.18 P 0.13 S 0.08 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 177.9(D) CA :: 62.4(D) 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 :: 8.633(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 :: 119.032(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.09 K 0.09 F 0.08 C 0.08 R 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 177.29(D) CA :: 57.4(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 :: 8.323(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 :: 122.012(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> C :: 176.84(D) CA :: 58.8(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 :: 6.964(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 :: 122.932(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 177.1(D) CA :: 61.5(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 :: 8.054(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 :: 119.352(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 T 0.2 S 0.18 I 0.14 P 0.1 C 0.02 C Shift Assignments>> C :: 177.44(D) CA :: 66.1(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 :: 7.729(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 :: 112.712(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.16 I 0.14 E 0.09 V 0.07 R 0.07 H 0.06 K 0.05 Q 0.05 P 0.01 M 0.01 C Shift Assignments>> C :: 177.38(D) CA :: 60.7(D) CB :: 29.8 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 :: 7.451(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 :: 120.412(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 I 0.26 Y 0.16 E 0.13 F 0.1 V 0.02 M 0.01 K 0.01 HN Overlap>> 1.Q96 1.Q96 C Shift Assignments>> C :: 175.53(D) CA :: 60.2(D) CB :: 36.9 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.373(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 :: 115.742(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 W 0.14 R 0.14 Q 0.13 C 0.12 K 0.08 M 0.06 I 0.01 HN Overlap>> 1.Y95 1.Y95 C Shift Assignments>> C :: 177.55(D) CA :: 56.9(D) CB :: 30.1 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 :: 7.321(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 :: 115.652(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 R 0.14 W 0.14 C 0.12 Q 0.12 K 0.07 M 0.06 I 0.01 C Shift Assignments>> C :: 175.68(D) CA :: 56.9(D) CB :: 30.2 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 :: 7.542(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 :: 118.662(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 Q 0.17 K 0.17 M 0.13 V 0.08 R 0.04 W 0.04 H 0.04 E 0.03 HN Overlap>> 1.R15 1.R15 C Shift Assignments>> C :: 171.62 CA :: 58.5(D) CB :: 33.8 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 :: 8.208(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 :: 121.142(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.23 V 0.2 T 0.17 S 0.17 I 0.13 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 177.33(D) CA :: 63.2(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.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.12 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.58(D) CA :: 54.4(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.309(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 :: 121.292(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 M 0.14 C 0.12 W 0.11 E 0.1 Q 0.09 K 0.09 C Shift Assignments>> C :: 175.16(D) CA :: 55.3(D) CB :: 31.1 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 :: 8.093(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 :: 121.922(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.C102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.15 W 0.13 C 0.12 E 0.12 H 0.12 R 0.08 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 172.51(D) CA :: 57.2(D) CB :: 28.7 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.237(D) 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 :: 124.872(D) Ave N Shift Values>> N :: 120.17(4.64) 1.N103 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 :: 175.11(D) CA :: 55.8(D) 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 :: 8.826(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 :: 121.632(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.12 R 0.1 M 0.03 I 0.02 C Shift Assignments>> C :: 175.49(D) CA :: 57.3(D) CB :: 29.2 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.701(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 :: 117.702(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 D 0.15 F 0.14 Y 0.1 C 0.06 R 0.06 N 0.01 I 0.01 HN Overlap>> 1.R204 1.R204 C Shift Assignments>> C :: 172.68(D) CA :: 56.4(D) CB :: 41.7 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 :: 7.596(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 :: 117.572(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.16 C 0.15 Q 0.11 R 0.11 H 0.1 W 0.06 E 0.04 HN Overlap>> 1.C29 1.C29 C Shift Assignments>> C :: 175.73(D) CA :: 54.6(D) CB :: 32.6 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 :: 8.448(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.762(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.22 N 0.16 Y 0.12 M 0.09 F 0.08 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 173.63(D) CA :: 55.3(D) CB :: 36.9 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 :: 8.818(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 :: 122.772(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.14 C 0.12 W 0.11 E 0.1 K 0.1 Q 0.09 C Shift Assignments>> C :: 176.68(D) CA :: 55.6(D) CB :: 31.2 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 :: 8.458(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 :: 126.662(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.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.2 N 0.12 F 0.11 Y 0.09 K 0.07 C 0.06 C Shift Assignments>> C :: 176.66(D) CA :: 54.6(D) CB :: 40.8 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.432(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 :: 123.592(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.71(D) CA :: 56.7(D) CB :: 64.1 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.21(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 :: 115.682(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 M 0.15 C 0.13 W 0.1 Q 0.09 K 0.08 E 0.08 C Shift Assignments>> C :: 173.54 CA :: 54.1(D) CB :: 31 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 :: 8.06(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 :: 125.702(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.21 T 0.17 V 0.16 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>> C :: 175.91(D) CA :: 61.1(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.V113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.18 K 0.13 W 0.08 M 0.08 Q 0.06 R 0.06 H 0.05 E 0.04 P 0.01 C Shift Assignments>> C :: 173.64 CA :: 59.7(D) CB :: 32.8 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 :: 8.306(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 :: 126.122(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.23 V 0.22 I 0.21 P 0.1 C 0.06 S 0.06 F 0.02 Y 0.02 W 0.02 C Shift Assignments>> CA :: 62.1(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.Q115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 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 0.02 S 0.01 HN Overlap>> 1.F39 1.F39 C Shift Assignments>> C :: 176.49(D) CA :: 55.6(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 :: 8.325(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 :: 119.662(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.21 P 0.2 T 0.19 I 0.15 S 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.219(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 :: 117.812(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N117 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E123 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.59(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) 1.W124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.22 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.47(D) CA :: 53.4(D) 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 :: 6.257(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 :: 109.192(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.21 N 0.14 K 0.08 F 0.07 Y 0.05 C 0.05 R 0.01 C Shift Assignments>> C :: 174.03(D) CA :: 53.5(D) CB :: 41.2 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 :: 7.461(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 :: 122.432(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.2 K 0.17 C 0.17 H 0.06 R 0.06 W 0.03 E 0.01 C Shift Assignments>> C :: 173.64(D) CA :: 54.9(D) CB :: 33.5 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 :: 8.498(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 :: 128.272(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.16 A 0.13 L 0.09 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 C Shift Assignments>> C :: 178.26(D) CA :: 54.1(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.072(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.83(D) CA :: 56.4(D) CB :: 63.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.384(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 :: 112.132(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L129 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>> C :: 175.81(D) CA :: 54.9(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.312(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 :: 127.792(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.24(D) CA :: 61.2(D) CB :: 71.5 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 :: 8.865(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 :: 118.012(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.78(D) CA :: 60.6(D) 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 :: 9.342(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 :: 122.422(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.A132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 181.17(D) CA :: 55.4(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.429(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.592(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.14 K 0.14 E 0.12 Q 0.11 H 0.09 I 0.09 R 0.07 M 0.01 L 0.01 HN Overlap>> 1.Y28 1.Y28 C Shift Assignments>> C :: 179.35(D) CA :: 58.7(D) CB :: 28.7 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 :: 7.815(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 :: 118.122(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.13 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.06 K 0.06 C 0.05 A 0.04 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 179.3(D) CA :: 55.1(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.615(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.572(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.13 V 0.13 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.05 E 0.02 R 0.02 K 0.02 P 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.51 CA :: 60.7(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.67(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 :: 116.422(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.13 V 0.13 C 0.11 S 0.08 F 0.07 Y 0.07 W 0.05 E 0.02 R 0.02 K 0.02 P 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 177.09 CA :: 60.7(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 :: 8.067(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 :: 118.342(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.11 I 0.1 Y 0.09 F 0.09 W 0.08 T 0.07 V 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.86(D) CA :: 59.9(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 :: 7.694(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 :: 115.952(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> C :: 179.9 CA :: 57.6(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 :: 8.058(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 :: 115.762(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.22 C 0.17 K 0.16 H 0.05 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 175.21(D) CA :: 54.8 CB :: 33.7 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 :: 7.833 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 :: 120.14 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.D144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.2 F 0.14 Y 0.11 N 0.08 K 0.08 C 0.07 C Shift Assignments>> C :: 178.52 CA :: 55.2(D) CB :: 40.8 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 :: 8.707(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 :: 124.222(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 176.26(D) CA :: 45.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.584(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.952(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.24 D 0.11 L 0.05 P 0.04 M 0.04 C 0.03 H 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 176.43(D) CA :: 52.1(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.725(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.432(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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>> C :: 170.53(D) CA :: 56.4(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 :: 8.826(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 :: 118.902(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 G 0.31 R 0.17 D 0.06 C 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.62 CA :: 54.9(D) CB :: 44.4 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 :: 9.348(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 :: 114.742(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.17 V 0.16 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>> C :: 173.4(D) CA :: 61.1(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 :: 9.786(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 :: 120.802(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.23 P 0.11 D 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 175.24(D) CA :: 51.7(D) 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 :: 9.576(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 :: 122.372(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.K151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.17 M 0.14 R 0.1 H 0.09 W 0.08 Q 0.08 E 0.06 V 0.04 C Shift Assignments>> C :: 177.45(D) CA :: 57.8(D) CB :: 32.5 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 :: 7.924(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 :: 124.872(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 C Shift Assignments>> C :: 174.9 CA :: 56.5(D) 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 :: 8.143(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 :: 127.502(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.N153 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 A 0.07 H 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 :: 175.77(D) CA :: 54.7(D) 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 :: 8.627(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 :: 118.232(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 W 0.15 E 0.15 R 0.14 C 0.12 Q 0.09 M 0.03 K 0.03 P 0.03 V 0.03 I 0.02 C Shift Assignments>> C :: 173.5 CB :: 30.3 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.405(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 :: 119.752(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N156 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 172.95(D) 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.S157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 173.03(D) CA :: 58.1(D) CB :: 66.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.664(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 :: 109.162(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 R 0.24 K 0.16 D 0.09 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 173.61(D) CA :: 56.5(D) CB :: 42.7 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 :: 9.151(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 :: 123.462(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.47 A 0.22 N 0.13 D 0.05 L 0.02 C 0.02 M 0.01 H 0.01 C Shift Assignments>> C :: 176.22(D) CA :: 50.9(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.52(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.212(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.13 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 175.57(D) CA :: 60.8(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 :: 9.126(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 :: 121.022(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.11 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 172.66 CA :: 58.4(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.256(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 :: 126.162(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F162 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 N 0.02 S 0.02 A 0.01 C Shift Assignments>> C :: 171.98(D) CA :: 56(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 :: 8.689(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 :: 121.052(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate 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.E27 1.E27 C Shift Assignments>> C :: 174.09 CA :: 54.3(D) 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 :: 8.193(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 :: 118.682(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.A164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 D 0.1 P 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 177.16 CA :: 51.8(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.046(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.252(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E165 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 C Shift Assignments>> C :: 176.73(D) CA :: 56.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.491(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 :: 123.132(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.4 CA :: 45.6 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.49(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.712(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.5 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 :: 7.707(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 :: 117.75(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 V 0.09 Y 0.09 F 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 175.24(D) CA :: 60.2(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) 1.K169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.22 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 171.79 CA :: 53.4(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 :: 8.402(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 :: 128.622(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H170 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 175.38 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 :: 8.084(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 :: 113.85(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.1 C 0.09 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 173.58(D) CA :: 57.8(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.527(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.172(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.14 C 0.14 R 0.14 H 0.13 K 0.12 W 0.11 E 0.1 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.21 CA :: 56.8(D) CB :: 31.6 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 :: 9.009(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 :: 125.802(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.V173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.17 V 0.16 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>> C :: 174.6(D) CA :: 61.1(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 :: 8.906(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 :: 124.402(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.17 K 0.16 H 0.12 R 0.12 W 0.07 E 0.04 Q 0.04 HN Overlap>> 1.L182 1.L182 C Shift Assignments>> C :: 174.5(D) CA :: 54.2(D) CB :: 32.4 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.661(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 :: 125.872(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.13 W 0.12 C 0.12 E 0.11 M 0.09 K 0.06 C Shift Assignments>> C :: 174.55(D) CA :: 55.1(D) CB :: 30.3 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 :: 8.775(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 :: 125.512(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.15 Q 0.13 W 0.12 C 0.12 E 0.11 M 0.09 K 0.06 C Shift Assignments>> C :: 175.74(D) CA :: 55.2(D) CB :: 30.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.782(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 :: 129.902(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 HN Overlap>> 1.F78 1.F78 C Shift Assignments>> C :: 175.11(D) CA :: 47.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.963(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.992(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q178 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 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 174.99(D) CA :: 56.1(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 :: 9.095(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 :: 126.112(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.23(D) CA :: 61.9(D) CB :: 71.5 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 :: 7.759(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 :: 113.202(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 V 0.22 K 0.11 Q 0.09 M 0.07 W 0.04 R 0.03 H 0.02 E 0.01 I 0.01 P 0.01 C Shift Assignments>> C :: 174.39(D) CA :: 60.1(D) CB :: 33.7 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 :: 8.688(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 :: 117.432(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.23 E 0.14 Q 0.13 K 0.1 N 0.05 Y 0.02 H 0.01 R 0.01 F 0.01 C Shift Assignments>> C :: 174.95 CA :: 54.4(D) CB :: 35.2 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 :: 9.094(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 :: 121.462(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 A 0.15 D 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 HN Overlap>> 1.Q174 1.Q174 C Shift Assignments>> C :: 176.37 CA :: 53.9(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.574(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 :: 125.922(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 C 0.09 P 0.04 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.37(D) CA :: 47.6(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.136(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.88(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.22 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.02(D) CA :: 53.4(D) 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 :: 8.906(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 :: 124.902(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 171.5(D) CA :: 58.8(D) CB :: 64.5 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.304(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 :: 118.112(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.22 K 0.17 C 0.15 Q 0.12 R 0.1 H 0.1 W 0.06 E 0.04 C Shift Assignments>> C :: 174.61(D) CA :: 55.1(D) CB :: 32.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.042(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 :: 124.292(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.1 H 0.1 R 0.1 K 0.09 M 0.08 E 0.07 W 0.07 L 0.06 C 0.06 F 0.06 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 175.43(D) CA :: 56.6(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 :: 9.133(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 :: 120.472(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 D 0.19 K 0.16 F 0.16 Y 0.12 C 0.07 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 175.23(D) CA :: 56.1 CB :: 41.2 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 :: 9.404(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 :: 119.472(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S189 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 :: 174.29 CA :: 57.4(D) CB :: 65.4 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.378(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 :: 105.182(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L190 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 T 0.3 I 0.14 S 0.09 P 0.05 C 0.02 C Shift Assignments>> C :: 177.97(D) CA :: 67(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) 1.D192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 177.76(D) CA :: 57.7(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 :: 7.816(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 :: 121.482(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.18 C 0.11 L 0.08 I 0.08 D 0.03 R 0.02 C Shift Assignments>> C :: 177.23(D) CA :: 59(D) CB :: 41.4 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 :: 7.416(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 :: 123.232(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.2 V 0.19 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 C Shift Assignments>> C :: 177.51(D) CA :: 61.6(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 :: 7.814(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 :: 119.232(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 V 0.19 S 0.18 T 0.17 I 0.13 C 0.03 F 0.01 C Shift Assignments>> CB :: 63.3 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.083(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 :: 112.342(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y197 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.41(D) 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.E198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 E 0.13 W 0.13 C 0.13 Q 0.1 M 0.08 K 0.07 V 0.01 C Shift Assignments>> C :: 173.69 CA :: 56.8(D) CB :: 30.7 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.238(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 :: 117.282(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.17 M 0.13 Q 0.1 R 0.09 W 0.08 H 0.08 V 0.05 E 0.05 C Shift Assignments>> CA :: 58(D) CB :: 32.7 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 :: 7.11(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 :: 117.652(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H200 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.24 T 0.19 V 0.18 C 0.08 P 0.05 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 R 0.01 C Shift Assignments>> C :: 177.81(D) CA :: 61.5(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.L202 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.63 C 0.16 Y 0.1 F 0.08 C Shift Assignments>> C :: 179.47(D) CA :: 63(S) CB :: 38.4 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 :: 7.874(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 :: 121.802(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 C 0.23 Y 0.15 F 0.11 E 0.04 V 0.01 C Shift Assignments>> C :: 174.73(D) CA :: 61.3(D) CB :: 37.5 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 :: 7.661(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 :: 118.782(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 HN Overlap>> 1.F105 1.F105 C Shift Assignments>> C :: 178.45(D) CA :: 57.6(D) 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 :: 7.529(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 :: 117.522(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.K205 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 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 174.79(D) CA :: 56.1(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 :: 7.083(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 :: 116.072(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 171.03 CA :: 52.8 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 :: 7.627(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 :: 119.362(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K207 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L208 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R209 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y210 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.23 T 0.22 V 0.2 P 0.07 C 0.07 S 0.04 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> C :: 176.81(D) CA :: 61.8 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.I212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.05 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 HN Overlap>> 1.L88 1.M245 1.L88 1.M245 C Shift Assignments>> C :: 173.29 CA :: 59(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 :: 8.491(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 :: 122.712(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 P 0.26 N 0.19 D 0.07 L 0.03 C 0.02 M 0.02 H 0.01 R 0.01 Q 0.01 W 0.01 C Shift Assignments>> C :: 174.54(D) CA :: 51.3 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.209(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 :: 121.282(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.13 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 178.47(D) CA :: 60.8(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.514(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 :: 120.182(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>> 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 :: 178.88(D) CA :: 59.7(D) CB :: 28.9 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.31(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 :: 120.242(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 M 0.37 C 0.03 I 0.01 C Shift Assignments>> C :: 180.14(D) CA :: 54.7(D) CB :: 18.7 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.206(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.882(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> C :: 179.2 CA :: 57.6(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 :: 7.836(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 :: 116.672(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.12 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 177.63(D) CA :: 58.6 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 :: 7.593 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.18 Ave N Shift Values>> N :: 120.67(3.48) 1.K219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 C Shift Assignments>> C :: 178.2 CA :: 58.3 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.588(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 :: 117.412(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I220 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.01 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) 1.G221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.3 CA :: 45.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.835(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.292(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.15 V 0.14 C 0.11 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 C Shift Assignments>> C :: 175.32 CA :: 60.9(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.852(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 :: 112.41(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 177.82 CA :: 53.5(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.455(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.95(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E224 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.111 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 :: 116.83 Ave N Shift Values>> N :: 120.67(3.48) 1.P225 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.8(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.D226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 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 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 176.14 CA :: 52.7(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 :: 7.695(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 :: 119.812(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.09 W 0.08 T 0.06 V 0.06 E 0.04 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 177.87 CA :: 59.7 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 :: 8.255(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 :: 123.98(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G228 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 :: 174.34 CA :: 46.2(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.516(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.092(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 HN Overlap>> 1.S38 1.S38 C Shift Assignments>> C :: 177.42 CA :: 52.5 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.822(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.992(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent 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 0.05 A 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> C :: 177.26 CA :: 55 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 :: 7.438(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 :: 118.42(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.1 C 0.09 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 175.31 CA :: 57.8 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.753(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 :: 123.06(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> C :: 176.7(D) CA :: 56.8 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 :: 8.446(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 :: 125.24(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.95(D) CA :: 45.5(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.97(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.942(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 W 0.15 E 0.15 R 0.13 C 0.12 Q 0.09 K 0.04 M 0.03 P 0.02 V 0.02 I 0.02 C Shift Assignments>> C :: 175.69 CB :: 30.2 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 :: 7.982(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 :: 119.492(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.N235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.21 P 0.18 D 0.08 L 0.04 C 0.03 M 0.02 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.5(D) 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 :: 8.424(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 :: 119.072(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P236 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.62 CA :: 45.3(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.395(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.442(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 175.57 CA :: 58.1 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 :: 7.376(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 :: 119.11(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 H 0.08 Q 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 C Shift Assignments>> C :: 174.95 CA :: 57.2 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 :: 8.646(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 :: 128.34(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.24 T 0.22 I 0.18 P 0.14 S 0.09 C 0.05 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.45 CA :: 62.5 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 :: 8.626(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 :: 114.32(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E241 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> C :: 176.37 CA :: 55.4 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.496(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 :: 120.81(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A242 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.42 A 0.23 N 0.15 D 0.05 L 0.02 C 0.02 M 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 177.58(D) CA :: 51 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.658(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.87(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N243 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 N 0.23 Y 0.18 F 0.12 C 0.11 E 0.03 D 0.02 C Shift Assignments>> C :: 173.24 CB :: 38.1 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 :: 8.504(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 :: 119.772(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P244 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.22 T 0.2 P 0.18 I 0.16 S 0.12 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> C :: 176.74(D) CA :: 62.8(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.M245 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.17 K 0.14 H 0.12 R 0.12 Q 0.07 W 0.07 E 0.04 HN Overlap>> 1.I212 1.I212 C Shift Assignments>> C :: 173.73 CA :: 53.7(D) CB :: 32.3 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 :: 8.381(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 :: 122.732(D) Ave N Shift Values>> N :: 120.09(3.57) 1.P246 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Y6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 41 #Clerical: 216 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 208 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 50 Shift Relative Order (SRO) Results: #Consistent: 259 #Suspicious: 0 C Shift Results: #Consistent: 176 #Duplicate: 339 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 4 #Duplicate: 197 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 4 #Duplicate: 198 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S2 C = 173.97(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.0550e-01 1.S2 CA = 58.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3071e-01 1.N3 C = 175.07(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.1104e-01 1.N3 CA = 53.2(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.5648e-01 1.N3 H = 8.69(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.7851e-01 1.N3 N = 120.332(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2792e-01 1.E4 C = 178.17(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.0499e-01 1.E4 CA = 55.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3827e-01 1.E4 H = 7.974(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4625e-01 1.E4 N = 119.902(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2533e-01 1.K5 CA = 59(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5143e-01 1.K5 H = 8.744(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5583e-01 1.K5 N = 121.882(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2533e-01 1.W6 C = 175.51(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.6152e-01 1.W6 CA = 53.7(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.2481e-01 1.F7 CA = 58.6(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.3966e-01 1.F7 H = 7.673(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4000e-01 1.F7 N = 123.362(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.8602e-01 1.L11 C = 177.67(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.3127e-01 1.L11 CA = 55(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.7099e-01 1.G12 C = 173.48(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3566e-01 1.G12 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G12 H = 8.813(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5744e-01 1.G12 N = 110.562(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1771e-01 1.A13 C = 178.11(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6209e-01 1.A13 CA = 52.7(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2414e-01 1.A13 H = 8.562(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4629e-01 1.A13 N = 122.442(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2385e-01 1.G14 C = 174.59(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0174e-01 1.G14 CA = 45.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.8148e-01 1.G14 H = 8.591(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8802e-01 1.G14 N = 108.672(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9650e-01 1.R15 C = 175.61(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.9352e-01 1.R15 CA = 55.7(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.4322e-01 1.R15 H = 8.186(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2946e-01 1.R15 N = 121.052(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4541e-01 1.D16 CA = 54.5(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2543e-01 1.D16 H = 8.479(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.7076e-01 1.D16 N = 119.272(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2110e-01 1.G17 CA = 47.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3132e-02 1.G17 H = 8.809(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6117e-01 1.G17 N = 110.102(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1112e-01 1.R18 CA = 60(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.6203e-01 1.R18 H = 8.577(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.8063e-01 1.R18 N = 122.052(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3369e-01 1.A21 CA = 55.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5370e-01 1.A21 H = 7.998(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3637e-01 1.A21 N = 119.912(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4861e-01 1.E22 C = 179.23(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2618e-01 1.E22 CA = 60.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6821e-01 1.E22 H = 8.396(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1093e-01 1.E22 N = 115.482(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3601e-01 1.R23 C = 177.8(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9352e-01 1.R23 CA = 59.7(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.0466e-01 1.R23 H = 8.078(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.9057e-01 1.R23 N = 123.022(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4597e-01 1.L24 C = 180.39(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5948e-02 1.L24 CA = 58.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9184e-01 1.L24 H = 8.478(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0280e-01 1.L24 N = 120.482(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2384e-01 1.L25 C = 177.86(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6038e-01 1.L25 CA = 58.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6179e-01 1.L25 H = 8.405(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.8775e-01 1.L25 N = 119.242(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0204e-01 1.T26 C = 175.15(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2890e-01 1.T26 CA = 67.2(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.4508e-02 1.T26 H = 8.073(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8766e-01 1.T26 N = 116.132(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8085e-01 1.E27 C = 178.67(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5597e-01 1.E27 CA = 59.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3538e-01 1.E27 H = 8.22(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5210e-01 1.E27 N = 118.732(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7760e-01 1.Y28 C = 179.35(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.7153e-02 1.Y28 CA = 62.1(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1372e-01 1.Y28 H = 7.923(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.8655e-01 1.Y28 N = 118.112(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.6642e-01 1.C29 C = 178.06(D), Expected = 174.95, Std = 2.0700, ChiSquare = 1.3299e-01 1.C29 CA = 63.8(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.8606e-02 1.C29 H = 8.507(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.6137e-01 1.C29 N = 118.672(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.4681e-01 1.I30 C = 178.74(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.3227e-01 1.I30 CA = 64.3(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1551e-01 1.I30 H = 8.081(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.6979e-01 1.I30 N = 120.782(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7413e-01 1.E31 C = 178.51(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0033e-01 1.E31 CA = 59.4(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1963e-01 1.E31 H = 7.924(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9137e-01 1.E31 N = 119.062(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4403e-01 1.T32 C = 176.01(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.0359e-01 1.T32 CA = 61.9(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0167e-01 1.T32 H = 7.557(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7063e-01 1.T32 N = 104.332(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.9579e-02 1.G33 C = 174.66(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.7433e-01 1.G33 CA = 46.9(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4739e-01 1.G33 H = 7.426(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6430e-01 1.G33 N = 112.472(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6905e-01 1.A34 CA = 51.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.0287e-01 1.A34 H = 7.251(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1373e-01 1.A34 N = 123.152(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8242e-01 1.P35 C = 178.27(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.1412e-01 1.P35 CA = 62.3(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9801e-01 1.D36 C = 178.89(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.5478e-01 1.D36 CA = 56.6(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.4676e-01 1.D36 H = 9.024(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1831e-01 1.D36 N = 121.812(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6339e-01 1.G37 C = 175.03(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.3722e-01 1.G37 CA = 45.8(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3701e-01 1.G37 H = 10.619(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2905e-04 1.G37 N = 114.302(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.3135e-01 1.S38 CA = 62.3(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.3725e-02 1.S38 H = 7.85(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6612e-01 1.S38 N = 122.992(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.6544e-02 1.F39 C = 171.23(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.5245e-02 1.F39 CA = 57.4(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.9132e-01 1.F39 H = 8.316(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.5127e-01 1.F39 N = 119.602(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.3924e-01 1.L40 C = 174.56(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1972e-01 1.L40 CA = 54.5(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9901e-01 1.L40 H = 9.097(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8225e-01 1.L40 N = 114.332(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3575e-02 1.V41 CA = 61.4(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0311e-01 1.V41 H = 9.235(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5841e-01 1.V41 N = 119.622(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.3811e-01 1.R42 C = 174.52(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.5184e-01 1.R42 CA = 53.2(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2224e-01 1.E43 C = 175.96(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.4074e-01 1.E43 CA = 58.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.7886e-01 1.E43 H = 8.729(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9887e-01 1.E43 N = 121.872(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2979e-01 1.S44 CA = 57.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9200e-01 1.S44 H = 8.043(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8791e-01 1.S44 N = 117.382(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5423e-01 1.E45 C = 177.21(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6158e-01 1.E45 H = 10.218(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3743e-03 1.E45 N = 128.612(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2478e-02 1.T46 C = 174.13(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1580e-01 1.T46 CA = 65.1(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.6615e-01 1.T46 H = 8.396(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0134e-01 1.T46 N = 115.832(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.3088e-01 1.F47 C = 174.26(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.5995e-01 1.F47 CA = 56.2(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6446e-01 1.F47 H = 7.946(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.6529e-01 1.F47 N = 123.782(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.2538e-01 1.V48 C = 177.93(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.2406e-01 1.V48 CA = 65.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.4336e-01 1.V48 H = 8.018(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8476e-01 1.V48 N = 123.272(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3864e-01 1.G49 C = 173.15(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.0174e-01 1.G49 CA = 45.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G49 H = 9.005(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.9906e-01 1.G49 N = 118.392(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4212e-02 1.D50 C = 176.02(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2810e-01 1.D50 CA = 53.1(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3348e-01 1.D50 H = 7.977(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6587e-01 1.D50 N = 120.232(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1377e-01 1.Y51 C = 174.16(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.3321e-01 1.Y51 CA = 57.4(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7118e-01 1.Y51 H = 8.889(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3571e-01 1.Y51 N = 116.832(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.7989e-01 1.T52 C = 173.13(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.2305e-01 1.T52 CA = 62.4(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.4459e-01 1.T52 H = 9.603(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7922e-02 1.T52 N = 118.832(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7256e-01 1.L53 C = 174.43(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9604e-01 1.L53 H = 9.395(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3084e-02 1.L53 N = 132.412(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8173e-03 1.S54 C = 172.43(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.0293e-01 1.S54 CA = 57.9(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.9200e-01 1.S54 H = 9.165(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3361e-01 1.S54 N = 124.962(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.3645e-02 1.F55 C = 172.48(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.3957e-01 1.F55 CA = 55.3(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.7938e-01 1.F55 H = 8.842(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.0321e-01 1.F55 N = 118.362(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.1741e-01 1.W56 C = 175.46(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.4264e-01 1.W56 CA = 55.5(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.0248e-01 1.W56 H = 8.945(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.0704e-01 1.W56 N = 123.042(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.4455e-01 1.R57 C = 174.99(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.8424e-01 1.R57 CA = 56(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3888e-01 1.R57 H = 8.873(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.9941e-01 1.R57 N = 127.332(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.5898e-02 1.N58 C = 175.1(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2434e-01 1.N58 CA = 53.8(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9001e-01 1.N58 H = 9.399(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2772e-02 1.N58 N = 128.452(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.8138e-02 1.G59 C = 172.26(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9179e-01 1.G59 CA = 45.7(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9394e-01 1.G59 H = 6.974(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6965e-02 1.G59 N = 102.082(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9911e-02 1.K60 C = 172.99(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8001e-02 1.K60 CA = 55(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7542e-01 1.K60 H = 6.797(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0251e-02 1.K60 N = 118.622(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1955e-01 1.V61 CA = 61.5(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.2923e-01 1.V61 H = 8.255(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5834e-01 1.V61 N = 119.952(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9357e-01 1.Q62 C = 172.94(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.3952e-02 1.Q62 CA = 53.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0491e-01 1.Q62 H = 8.583(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.3839e-01 1.Q62 N = 126.862(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2786e-02 1.H63 C = 176.51(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.2244e-01 1.H63 CA = 54.8(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.5652e-01 1.H63 H = 8.236(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.9531e-01 1.H63 N = 118.562(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.7794e-01 1.C64 C = 172.56(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.4826e-01 1.C64 CA = 57.6(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.3350e-01 1.C64 H = 9.821(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2694e-02 1.C64 N = 121.152(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.3239e-01 1.R65 C = 174.69(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.9683e-01 1.R65 CA = 56.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.8964e-01 1.R65 H = 8.776(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.7957e-01 1.R65 N = 126.812(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0232e-01 1.I66 CA = 60.8(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6247e-01 1.I66 H = 9.127(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1292e-01 1.I66 N = 126.532(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3600e-01 1.H67 C = 174.41(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.6982e-01 1.H67 CA = 55.5(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.5881e-01 1.H67 H = 8.611(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8535e-01 1.H67 N = 126.142(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.0674e-01 1.S68 C = 174.42(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0743e-01 1.S68 CA = 56.3(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4237e-01 1.S68 H = 8.434(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9408e-01 1.S68 N = 115.532(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3172e-01 1.R69 C = 174.51(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.4929e-01 1.R69 CA = 54.9(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.1821e-01 1.R69 H = 8.597(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.5838e-01 1.R69 N = 123.692(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3194e-01 1.Q70 C = 175.18(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.6226e-01 1.Q70 CA = 55.2(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.2205e-01 1.Q70 H = 8.742(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7629e-01 1.Q70 N = 122.162(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2797e-01 1.D71 C = 175.46(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.9117e-01 1.D71 CA = 53.8(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6108e-01 1.D71 H = 8.527(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0830e-01 1.D71 N = 123.972(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.8945e-01 1.A72 C = 177.66(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7004e-01 1.A72 CA = 52.9(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.0352e-01 1.A72 H = 8.884(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5429e-01 1.A72 N = 127.082(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7654e-01 1.G73 C = 174.06(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1950e-01 1.G73 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G73 H = 8.332(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9754e-01 1.G73 N = 105.732(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0888e-01 1.T74 CA = 59.5(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9363e-01 1.T74 H = 7.822(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.0019e-01 1.T74 N = 116.702(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8724e-01 1.P75 C = 175.18(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.9846e-01 1.K76 C = 175.71(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.4193e-01 1.K76 CA = 53.6(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.2783e-01 1.K76 H = 8.121(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0845e-01 1.K76 N = 118.802(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5098e-01 1.F77 C = 176.18(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.0253e-01 1.F77 CA = 56.6(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.6470e-01 1.F77 H = 9.067(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2613e-01 1.F77 N = 117.292(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4995e-01 1.F78 CA = 57.8(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1324e-01 1.F78 H = 8.92(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.3670e-01 1.F78 N = 116.072(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.9493e-01 1.L79 C = 177.81(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7877e-01 1.L79 H = 10.105(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9189e-03 1.L79 N = 121.882(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9550e-01 1.T80 C = 174.12(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1139e-01 1.T80 CA = 60(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9137e-01 1.T80 H = 8.818(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.5120e-01 1.T80 N = 113.332(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.6024e-01 1.D81 C = 175.18(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.8571e-01 1.D81 CA = 56.3(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.2772e-01 1.D81 H = 8.533(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0062e-01 1.D81 N = 122.152(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.9719e-01 1.N82 C = 174.54(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.8340e-01 1.N82 CA = 53.6(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7454e-01 1.N82 H = 7.94(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.2548e-01 1.N82 N = 114.132(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.3382e-01 1.L83 C = 172.42(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0995e-02 1.L83 CA = 55.1(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.0713e-01 1.L83 H = 7.685(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0177e-01 1.L83 N = 124.902(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3539e-01 1.V84 C = 175.27(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.5385e-01 1.V84 CA = 60.2(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2331e-01 1.V84 H = 7.861(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2198e-01 1.V84 N = 120.692(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2139e-01 1.F85 C = 175.96(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.8612e-01 1.F85 CA = 57.5(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.2145e-01 1.F85 H = 9.353(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.6784e-01 1.F85 N = 122.192(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7686e-01 1.D86 C = 175.57(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.3530e-01 1.D86 CA = 55.6(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5395e-01 1.D86 H = 9.92(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5056e-03 1.D86 N = 119.902(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4635e-01 1.S87 C = 173.61(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.5706e-01 1.S87 CA = 57.2(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.6277e-01 1.S87 H = 7.67(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0118e-01 1.S87 N = 108.642(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0015e-02 1.L88 C = 177.82(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.7508e-01 1.L88 CA = 57.2(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5822e-01 1.L88 H = 8.482(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9824e-01 1.L88 N = 122.652(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3907e-01 1.Y89 C = 177.9(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.0901e-01 1.Y89 CA = 62.4(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8906e-02 1.Y89 H = 8.633(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.6809e-01 1.Y89 N = 119.032(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.2312e-01 1.D90 C = 177.29(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1105e-01 1.D90 CA = 57.4(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8188e-01 1.D90 H = 8.323(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8212e-01 1.D90 N = 122.012(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2420e-01 1.L91 C = 176.84(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3961e-01 1.L91 CA = 58.8(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3545e-01 1.L91 H = 6.964(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1452e-02 1.L91 N = 122.932(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8341e-01 1.I92 C = 177.1(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.1502e-01 1.I92 CA = 61.5(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.6726e-01 1.I92 H = 8.054(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3962e-01 1.I92 N = 119.352(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2235e-01 1.T93 C = 177.44(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.9409e-02 1.T93 CA = 66.1(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3411e-01 1.T93 H = 7.729(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.0983e-01 1.T93 N = 112.712(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6861e-01 1.H94 C = 177.38(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.7960e-01 1.H94 CA = 60.7(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.0370e-02 1.H94 H = 7.451(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.4593e-01 1.H94 N = 120.412(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.5676e-01 1.Y95 C = 175.53(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.4791e-01 1.Y95 CA = 60.2(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.0954e-01 1.Y95 H = 7.373(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.9454e-01 1.Y95 N = 115.742(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.5528e-01 1.Q96 C = 177.55(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.2484e-01 1.Q96 CA = 56.9(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.7745e-01 1.Q96 H = 7.321(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.2758e-01 1.Q96 N = 115.652(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.3911e-01 1.Q97 C = 175.68(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4664e-01 1.Q97 CA = 56.9(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.7745e-01 1.Q97 H = 7.542(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.5049e-01 1.Q97 N = 118.662(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3302e-01 1.V98 CA = 58.5(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6298e-01 1.V98 H = 8.208(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.0259e-01 1.V98 N = 121.142(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9965e-01 1.P99 C = 177.33(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.0090e-01 1.P99 CA = 63.2(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.3184e-01 1.L100 C = 175.58(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7639e-01 1.L100 CA = 54.4(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.6680e-01 1.L100 H = 8.309(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0326e-01 1.L100 N = 121.292(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8420e-01 1.R101 C = 175.16(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.3805e-01 1.R101 CA = 55.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2454e-01 1.R101 H = 8.093(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0957e-01 1.R101 N = 121.922(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.6045e-01 1.C102 C = 172.51(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.3850e-01 1.C102 CA = 57.2(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.4115e-01 1.C102 H = 8.237(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.1937e-01 1.C102 N = 124.872(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.1089e-01 1.N103 C = 175.11(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2878e-01 1.N103 CA = 55.8(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2931e-01 1.N103 H = 8.826(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4045e-01 1.N103 N = 121.632(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0256e-01 1.E104 C = 175.49(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7914e-01 1.E104 CA = 57.3(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9236e-01 1.E104 H = 8.701(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2947e-01 1.E104 N = 117.702(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9373e-01 1.F105 C = 172.68(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.6855e-01 1.F105 CA = 56.4(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1331e-01 1.F105 H = 7.596(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.8864e-01 1.F105 N = 117.572(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.9113e-01 1.E106 C = 175.73(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.5881e-01 1.E106 CA = 54.6(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9311e-01 1.E106 H = 8.448(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4148e-01 1.E106 N = 118.762(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8350e-01 1.M107 C = 173.63(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.2243e-01 1.M107 CA = 55.3(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.1643e-01 1.M107 H = 8.818(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.5237e-01 1.M107 N = 122.772(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.5250e-01 1.R108 C = 176.68(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.9419e-01 1.R108 CA = 55.6(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.1251e-01 1.R108 H = 8.458(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2081e-01 1.R108 N = 126.662(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1117e-01 1.L109 C = 176.66(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.6763e-01 1.L109 CA = 54.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3203e-01 1.L109 H = 8.432(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5598e-01 1.L109 N = 123.592(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5697e-01 1.S110 C = 174.71(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.5827e-01 1.S110 CA = 56.7(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2914e-01 1.S110 H = 8.21(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0556e-01 1.S110 N = 115.682(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6510e-01 1.E111 CA = 54.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2340e-01 1.E111 H = 8.06(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4722e-01 1.E111 N = 125.702(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4818e-01 1.P112 C = 175.91(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.7801e-01 1.P112 CA = 61.1(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.4235e-01 1.V113 CA = 59.7(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2930e-01 1.V113 H = 8.306(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8095e-01 1.V113 N = 126.122(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.7249e-01 1.P114 CA = 62.1(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.1839e-01 1.Q115 C = 176.49(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.2645e-01 1.Q115 CA = 55.6(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5035e-01 1.Q115 H = 8.325(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5875e-01 1.Q115 N = 119.662(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4950e-01 1.T116 CA = 63(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.6329e-01 1.T116 H = 8.219(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7298e-01 1.T116 N = 117.812(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1456e-01 1.E123 C = 175.59(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1156e-01 1.W124 C = 175.47(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.4640e-01 1.W124 CA = 53.4(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.8705e-02 1.W124 H = 6.257(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.0070e-02 1.W124 N = 109.192(D), Expected = 121.68, Std = 4.1800, ChiSquare = 2.8121e-03 1.Y125 C = 174.03(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.9117e-01 1.Y125 CA = 53.5(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.5093e-02 1.Y125 H = 7.461(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.3931e-01 1.Y125 N = 122.432(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.4894e-01 1.H126 C = 173.64(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.1378e-01 1.H126 CA = 54.9(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.8312e-01 1.H126 H = 8.498(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.0438e-01 1.H126 N = 128.272(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.1913e-02 1.A127 C = 178.26(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0713e-01 1.A127 CA = 54.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2778e-01 1.A127 H = 8.43(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0147e-01 1.A127 N = 126.072(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2208e-01 1.S128 C = 172.83(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.9802e-01 1.S128 CA = 56.4(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6238e-01 1.S128 H = 8.384(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.6008e-01 1.S128 N = 112.132(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.3863e-01 1.L129 C = 175.81(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.5120e-01 1.L129 CA = 54.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3534e-01 1.L129 H = 8.312(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9961e-01 1.L129 N = 127.792(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.2825e-01 1.T130 C = 175.24(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.9083e-01 1.T130 CA = 61.2(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9371e-01 1.T130 H = 8.865(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.1342e-01 1.T130 N = 118.012(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.8528e-01 1.R131 C = 177.78(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9975e-01 1.R131 CA = 60.6(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.7316e-02 1.R131 H = 9.342(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0831e-02 1.R131 N = 122.422(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.5939e-01 1.A132 C = 181.17(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.0733e-01 1.A132 CA = 55.4(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5370e-01 1.A132 H = 8.429(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0271e-01 1.A132 N = 119.592(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0410e-01 1.Q133 C = 179.35(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.1900e-01 1.Q133 CA = 58.7(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.1958e-01 1.Q133 H = 7.815(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.9244e-01 1.Q133 N = 118.122(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.2335e-01 1.A134 C = 179.3(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6393e-01 1.A134 CA = 55.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2222e-01 1.A134 H = 8.615(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8915e-01 1.A134 N = 122.572(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5254e-01 1.E135 CA = 60.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0583e-01 1.E135 H = 8.67(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.6443e-01 1.E135 N = 116.422(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2220e-01 1.H136 CA = 60.7(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.0370e-02 1.H136 H = 8.067(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.9918e-01 1.H136 N = 118.342(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.3612e-01 1.M137 C = 177.86(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.2150e-01 1.M137 CA = 59.9(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9215e-02 1.M137 H = 7.694(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.4551e-01 1.M137 N = 115.952(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.4641e-01 1.L138 CA = 57.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L138 H = 8.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9131e-01 1.L138 N = 115.762(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1791e-01 1.R143 C = 175.21(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.5443e-01 1.D144 CA = 55.2(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.0164e-01 1.D144 H = 8.707(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.9367e-01 1.D144 N = 124.222(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5476e-01 1.G145 C = 176.26(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.0363e-01 1.G145 H = 9.584(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3702e-02 1.G145 N = 108.952(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5281e-01 1.A146 C = 176.43(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.3854e-01 1.A146 CA = 52.1(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9941e-01 1.A146 H = 7.725(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2856e-01 1.A146 N = 125.432(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.3392e-01 1.F147 C = 170.53(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.3999e-02 1.F147 CA = 56.4(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1331e-01 1.F147 H = 8.826(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.1749e-01 1.F147 N = 118.902(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.1113e-01 1.L148 CA = 54.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.3534e-01 1.L148 H = 9.348(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5432e-02 1.L148 N = 114.742(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7982e-02 1.V149 C = 173.4(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.4264e-01 1.V149 CA = 61.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.2696e-01 1.V149 H = 9.786(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5560e-02 1.V149 N = 120.802(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4065e-01 1.R150 C = 175.24(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.6438e-01 1.R150 CA = 51.7(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8178e-02 1.R150 H = 9.576(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.8512e-02 1.R150 N = 122.372(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.6925e-01 1.K151 C = 177.45(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.8548e-01 1.K151 CA = 57.8(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9923e-01 1.K151 H = 7.924(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5752e-01 1.K151 N = 124.872(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1068e-01 1.R152 CA = 56.5(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0695e-01 1.R152 H = 8.143(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.7366e-01 1.R152 N = 127.502(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8577e-02 1.N153 C = 175.77(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.7999e-01 1.N153 CA = 54.7(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.3722e-01 1.N153 H = 8.627(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4871e-01 1.N153 N = 118.232(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6249e-01 1.E154 H = 7.405(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1693e-01 1.E154 N = 119.752(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9194e-01 1.N156 C = 172.95(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.9494e-01 1.S157 C = 173.03(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.5527e-01 1.S157 CA = 58.1(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6455e-01 1.S157 H = 7.664(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9645e-01 1.S157 N = 109.162(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.3160e-02 1.Y158 C = 173.61(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.6839e-01 1.Y158 CA = 56.5(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.1608e-01 1.Y158 H = 9.151(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.5497e-01 1.Y158 N = 123.462(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8363e-01 1.A159 C = 176.22(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.7547e-01 1.A159 CA = 50.9(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.5792e-01 1.A159 H = 9.52(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7807e-02 1.A159 N = 121.212(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.6864e-01 1.I160 C = 175.57(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8405e-01 1.I160 CA = 60.8(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6247e-01 1.I160 H = 9.126(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1346e-01 1.I160 N = 121.022(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1849e-01 1.S161 CA = 58.4(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7715e-01 1.S161 H = 9.256(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8079e-02 1.S161 N = 126.162(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.9945e-03 1.F162 C = 171.98(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.3873e-02 1.F162 CA = 56(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.1832e-01 1.F162 H = 8.689(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4771e-01 1.F162 N = 121.052(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8549e-01 1.R163 CA = 54.3(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.8495e-01 1.R163 H = 8.193(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3858e-01 1.R163 N = 118.682(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6492e-01 1.A164 CA = 51.8(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.9855e-01 1.A164 H = 9.046(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.5854e-01 1.A164 N = 126.252(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9329e-01 1.E165 C = 176.73(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4277e-01 1.E165 H = 9.491(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9091e-02 1.E165 N = 123.132(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7927e-01 1.G166 H = 9.49(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4324e-02 1.G166 N = 105.712(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0643e-01 1.K167 H = 7.707(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.2082e-01 1.K167 N = 117.75(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8139e-01 1.I168 C = 175.24(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5071e-01 1.I168 CA = 60.2(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.9881e-01 1.K169 CA = 53.4(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0661e-01 1.K169 H = 8.402(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2384e-01 1.K169 N = 128.622(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4591e-02 1.H170 H = 8.084(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1855e-01 1.H170 N = 113.85(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.4429e-01 1.C171 C = 173.58(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.0808e-01 1.C171 CA = 57.8(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.8065e-01 1.C171 H = 9.527(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9694e-02 1.C171 N = 119.172(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.2970e-01 1.R172 CA = 56.8(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.8964e-01 1.R172 H = 9.009(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.0743e-01 1.R172 N = 125.802(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.7407e-01 1.V173 C = 174.6(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.9138e-01 1.V173 CA = 61.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.2696e-01 1.V173 H = 8.906(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.5789e-01 1.V173 N = 124.402(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7245e-01 1.Q174 C = 174.5(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5330e-01 1.Q174 CA = 54.2(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6809e-01 1.Q174 H = 8.661(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.5479e-01 1.Q174 N = 125.872(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6580e-02 1.Q175 C = 174.55(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.6676e-01 1.Q175 CA = 55.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9214e-01 1.Q175 H = 8.775(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.4687e-01 1.Q175 N = 125.512(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1837e-01 1.E176 C = 175.74(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.6226e-01 1.E176 CA = 55.2(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1041e-01 1.E176 H = 8.782(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4362e-01 1.E176 N = 129.902(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9810e-03 1.G177 C = 175.11(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0953e-01 1.G177 CA = 47.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6740e-01 1.G177 H = 8.963(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3013e-01 1.G177 N = 115.992(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0234e-01 1.Q178 C = 174.99(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.9845e-01 1.Q178 CA = 56.1(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.2616e-01 1.Q178 H = 9.095(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3806e-01 1.Q178 N = 126.112(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3929e-02 1.T179 C = 173.23(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.5668e-01 1.T179 CA = 61.9(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0167e-01 1.T179 H = 7.759(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3786e-01 1.T179 N = 113.202(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4054e-01 1.V180 C = 174.39(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.1739e-01 1.V180 CA = 60.1(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0334e-01 1.V180 H = 8.688(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5249e-01 1.V180 N = 117.432(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.1408e-01 1.M181 CA = 54.4(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.4319e-01 1.M181 H = 9.094(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.6453e-01 1.M181 N = 121.462(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.0075e-01 1.L182 CA = 53.9(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.1937e-01 1.L182 H = 8.574(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9665e-01 1.L182 N = 125.922(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9763e-01 1.G183 C = 174.37(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.9027e-01 1.G183 CA = 47.6(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3132e-02 1.G183 H = 9.136(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1498e-01 1.G183 N = 117.88(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3884e-02 1.N184 C = 175.02(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.8893e-01 1.N184 CA = 53.4(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4064e-01 1.N184 H = 8.906(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6897e-01 1.N184 N = 124.902(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.3837e-01 1.S185 C = 171.5(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.9685e-02 1.S185 CA = 58.8(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.6917e-01 1.S185 H = 8.304(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.6755e-01 1.S185 N = 118.112(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.0275e-01 1.E186 C = 174.61(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.4647e-01 1.E186 CA = 55.1(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.8814e-01 1.E186 H = 8.042(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2545e-01 1.E186 N = 124.292(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9797e-01 1.F187 C = 175.43(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.9599e-01 1.F187 CA = 56.6(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.6470e-01 1.F187 H = 9.133(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.8300e-01 1.F187 N = 120.472(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9580e-01 1.D188 C = 175.23(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.0377e-01 1.D188 H = 9.404(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9267e-02 1.D188 N = 119.472(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6023e-01 1.S189 CA = 57.4(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2368e-01 1.S189 H = 7.378(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2631e-01 1.S189 N = 105.182(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.6169e-03 1.V191 C = 177.97(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.1615e-01 1.V191 CA = 67(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1481e-01 1.D192 C = 177.76(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.3707e-01 1.D192 CA = 57.7(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3814e-01 1.D192 H = 7.816(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9437e-01 1.D192 N = 121.482(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2934e-01 1.L193 C = 177.23(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.0352e-01 1.L193 CA = 59(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1255e-01 1.L193 H = 7.416(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1046e-01 1.L193 N = 123.232(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2499e-01 1.I194 C = 177.51(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.8727e-01 1.I194 CA = 61.6(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9702e-01 1.I194 H = 7.814(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9316e-01 1.I194 N = 119.232(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0267e-01 1.S195 H = 8.083(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3846e-01 1.S195 N = 112.342(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6325e-01 1.Y197 C = 177.41(D), Expected = 175.40, Std = 1.9900, ChiSquare = 3.1247e-01 1.E198 CA = 56.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0351e-01 1.E198 H = 7.238(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4192e-02 1.E198 N = 117.282(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.3027e-01 1.K199 CA = 58(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3317e-01 1.K199 H = 7.11(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1861e-02 1.K199 N = 117.652(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.6742e-01 1.P201 C = 177.81(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.8269e-01 1.P201 CA = 61.5(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.2861e-01 1.L202 Typing: Mistyped 1.L202 C = 179.47(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1038e-01 1.L202 CA = 63(S), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3065e-04 1.L202 H = 7.874(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8390e-01 1.L202 N = 121.802(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8813e-01 1.Y203 C = 174.73(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.3636e-01 1.Y203 CA = 61.3(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.0661e-01 1.Y203 H = 7.661(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.6666e-01 1.Y203 N = 118.782(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.7901e-01 1.R204 C = 178.45(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.1493e-01 1.R204 CA = 57.6(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.1936e-01 1.R204 H = 7.529(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4379e-01 1.R204 N = 117.522(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.7306e-01 1.K205 C = 174.79(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.5497e-01 1.K205 CA = 56.1(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9923e-01 1.K205 H = 7.083(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5038e-02 1.K205 N = 116.072(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.8669e-01 1.M206 H = 7.627(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.9143e-01 1.M206 N = 119.362(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.3841e-01 1.P211 C = 176.81(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6830e-01 1.I212 CA = 59(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.3012e-01 1.I212 H = 8.491(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5634e-01 1.I212 N = 122.712(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.6989e-01 1.N213 C = 174.54(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.8340e-01 1.N213 H = 7.209(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.2616e-02 1.N213 N = 121.282(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5947e-01 1.E214 C = 178.47(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.1192e-01 1.E214 CA = 60.8(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.5898e-02 1.E214 H = 9.514(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.4773e-02 1.E214 N = 120.182(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8848e-01 1.E215 C = 178.88(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.0265e-01 1.E215 CA = 59.7(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5480e-01 1.E215 H = 8.31(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E215 N = 120.242(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0212e-01 1.A216 C = 180.14(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5984e-01 1.A216 CA = 54.7(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3077e-01 1.A216 H = 8.206(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9202e-01 1.A216 N = 121.882(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0336e-01 1.L217 CA = 57.6(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5259e-01 1.L217 H = 7.836(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.4441e-01 1.L217 N = 116.672(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8343e-01 1.E218 C = 177.63(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.9673e-01 1.K219 H = 7.588(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.1570e-01 1.K219 N = 117.412(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3455e-01 1.G221 CA = 45.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G221 H = 7.835(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4634e-01 1.G221 N = 110.292(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7231e-01 1.T222 CA = 60.9(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.1029e-01 1.T222 H = 8.852(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2360e-01 1.T222 N = 112.41(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.2629e-01 1.A223 CA = 53.5(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5573e-01 1.A223 H = 8.455(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7084e-01 1.A223 N = 124.95(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.2706e-01 1.P225 C = 174.8(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.9657e-01 1.D226 CA = 52.7(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.2694e-01 1.D226 H = 7.695(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.8899e-01 1.D226 N = 119.812(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2813e-01 1.F227 H = 8.255(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.8405e-01 1.F227 N = 123.98(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.9839e-01 1.G228 CA = 46.2(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2587e-01 1.G228 H = 8.516(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7476e-01 1.G228 N = 109.092(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8127e-01 1.A229 H = 7.822(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2869e-01 1.A229 N = 122.992(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4640e-01 1.L230 H = 7.438(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2305e-01 1.L230 N = 118.42(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7775e-01 1.F231 H = 8.753(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.8518e-01 1.F231 N = 123.06(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3236e-01 1.E232 C = 176.7(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.3053e-01 1.E232 H = 8.446(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4413e-01 1.E232 N = 125.24(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8911e-01 1.G233 C = 173.95(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6606e-01 1.G233 CA = 45.5(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1087e-01 1.G233 H = 7.97(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7968e-01 1.G233 N = 108.942(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5079e-01 1.R234 H = 7.982(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7233e-01 1.R234 N = 119.492(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.2226e-01 1.N235 CA = 51.5(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.7787e-01 1.N235 H = 8.424(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.9393e-01 1.N235 N = 119.072(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7189e-01 1.G237 CA = 45.3(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 1.G237 H = 8.395(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2034e-01 1.G237 N = 108.442(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.5101e-01 1.F238 H = 7.376(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7173e-01 1.F238 N = 119.11(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.4853e-01 1.Y239 H = 8.646(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5518e-01 1.Y239 N = 128.34(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.2617e-02 1.V240 H = 8.626(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1602e-01 1.V240 N = 114.32(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3304e-01 1.E241 H = 8.496(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7844e-01 1.E241 N = 120.81(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6791e-01 1.A242 C = 177.58(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4012e-01 1.A242 H = 8.658(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4526e-01 1.A242 N = 124.87(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4317e-01 1.N243 H = 8.504(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.9462e-01 1.N243 N = 119.772(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.3450e-01 1.P244 C = 176.74(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9472e-01 1.P244 CA = 62.8(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.2733e-01 1.M245 CA = 53.7(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.7982e-01 1.M245 H = 8.381(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4018e-01 1.M245 N = 122.732(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.5927e-01