Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.31 C 0.18 W 0.02 K 0.01 C Shift Assignments>> C :: 175.909(D) CA :: 62.640(D) CB :: 32.629(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.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.350(D) CA :: 54.489(D) CB :: 41.248(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 :: 8.498(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 :: 123.107(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.T107 1.T107 C Shift Assignments>> C :: 174.951(D) CA :: 58.433(D) CB :: 63.888(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.210(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.002(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.057(D) CA :: 59.104(D) CB :: 63.874(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.471(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 :: 118.011(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.250(D) CA :: 45.407(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.390(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.325(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 W 0.14 E 0.14 C 0.13 Q 0.13 K 0.08 C Shift Assignments>> C :: 175.752(D) CA :: 55.989(D) CB :: 30.622(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 :: 8.382(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 :: 121.025(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.28 C 0.15 I 0.09 D 0.06 L 0.05 N 0.02 C Shift Assignments>> C :: 174.548(D) CA :: 57.619(D) CB :: 39.313(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 :: 8.510(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 :: 127.361(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.42 V 0.4 C 0.12 W 0.01 C Shift Assignments>> C :: 174.795(D) CA :: 63.568(D) CB :: 32.252 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.T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.309(D) CA :: 59.916(D) CB :: 71.841(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 :: 7.839(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 :: 110.916(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.39 C 0.09 I 0.01 C Shift Assignments>> C :: 179.066(D) CA :: 65.242(D) CB :: 31.804 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 :: 8.425(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 :: 117.327(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.114(D) CA :: 60.813(D) CB :: 62.119(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.184(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 :: 111.024(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 C 0.15 W 0.13 E 0.12 K 0.12 Q 0.09 V 0.01 HN Overlap>> 1.H233 1.H233 C Shift Assignments>> C :: 175.612(D) CA :: 56.300(D) CB :: 31.254(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 :: 7.706(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 :: 118.296(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.28 I 0.18 C 0.16 L 0.02 D 0.02 C Shift Assignments>> C :: 172.925(D) CA :: 58.888(D) CB :: 39.168 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 :: 7.057(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 :: 120.071(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.697(D) CA :: 45.115(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 H 0.17 C 0.17 K 0.16 W 0.11 E 0.09 Q 0.08 C Shift Assignments>> C :: 174.757(D) CA :: 55.263(D) CB :: 31.760(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 :: 7.973(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 :: 119.159(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.19 I 0.17 Y 0.11 F 0.05 V 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 175.900(D) CA :: 60.082(D) CB :: 36.060 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 :: 8.227(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 Q 0.25 K 0.16 H 0.07 R 0.05 W 0.03 N 0.02 P 0.02 E 0.02 C Shift Assignments>> C :: 174.251(D) CA :: 52.551(D) CB :: 33.938(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 :: 9.070(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 :: 121.977(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.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.33 L 0.3 R 0.15 D 0.1 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.908(D) CA :: 53.026(D) CB :: 44.068 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 :: 8.842(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 :: 119.065(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.17 Y 0.13 D 0.09 C 0.07 R 0.07 I 0.02 C Shift Assignments>> C :: 174.265(D) CA :: 57.427(D) CB :: 41.766 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 :: 9.083(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 :: 123.506(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q22 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 0.13 E 0.12 H 0.12 R 0.08 I 0.04 L 0.02 C Shift Assignments>> C :: 173.844(D) CA :: 57.361(D) CB :: 28.644 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 :: 8.669(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 :: 129.394(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 F 0.2 Y 0.19 C 0.15 C Shift Assignments>> C :: 174.711(D) CA :: 61.639(D) CB :: 39.841 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 :: 129.516(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 L 0.11 C 0.07 C Shift Assignments>> C :: 175.711(D) CA :: 50.103(D) CB :: 21.773(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.971(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.400(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.19 D 0.18 L 0.15 C 0.1 K 0.05 N 0.04 I 0.03 C Shift Assignments>> C :: 177.169(D) CA :: 56.514(D) CB :: 40.449(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 :: 8.422(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.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.069(D) CA :: 46.611(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.161(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.879(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 V 0.27 I 0.15 E 0.05 Y 0.04 K 0.02 Q 0.01 F 0.01 C Shift Assignments>> C :: 173.488(D) CA :: 61.668(D) CB :: 35.141(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 :: 7.290(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 :: 117.534(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 Q 0.25 K 0.2 E 0.09 R 0.04 H 0.04 V 0.03 W 0.02 Y 0.01 C Shift Assignments>> C :: 176.207(D) CA :: 57.223(D) CB :: 34.301 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 :: 9.756(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 :: 128.466(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.293(D) CA :: 56.991(D) CB :: 66.160 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.950(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 :: 115.582(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 N 0.25 E 0.19 K 0.06 Y 0.05 Q 0.05 F 0.03 H 0.01 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 173.470(D) CA :: 53.618(D) CB :: 35.924 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 :: 7.801(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 :: 118.893(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 I 0.21 C 0.16 Y 0.16 K 0.11 R 0.06 L 0.02 G 0.01 C Shift Assignments>> C :: 173.825(D) CA :: 61.484 CB :: 42.151 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 :: 9.091(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 :: 121.141(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.62 L 0.18 C 0.11 K 0.04 R 0.01 C Shift Assignments>> C :: 176.396 CA :: 50.165(D) CB :: 24.972 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.687(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.214(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.26 F 0.16 Y 0.14 L 0.14 N 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.801(D) CA :: 55.246(D) CB :: 40.070(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) 1.G38 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 :: 173.437(D) CA :: 45.630(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.391(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.252(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 L 0.08 C 0.05 C Shift Assignments>> C :: 175.304(D) CA :: 50.768(D) CB :: 21.316(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.831(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.401(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 C 0.26 P 0.14 K 0.04 W 0.03 Q 0.02 R 0.01 H 0.01 I 0.01 C Shift Assignments>> C :: 174.909(D) CA :: 61.720(D) CB :: 33.122 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 :: 7.902(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 :: 120.026(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.24 K 0.17 F 0.08 Y 0.06 R 0.05 C 0.05 N 0.04 C Shift Assignments>> CA :: 54.815 CB :: 41.782 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 :: 8.942(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 :: 126.053(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.38 C 0.24 P 0.18 W 0.05 K 0.04 R 0.02 H 0.01 E 0.01 Q 0.01 C Shift Assignments>> C :: 177.548 CA :: 61.635 CB :: 32.510 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.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.856 CA :: 59.074 CB :: 65.080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.108 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.016 Ave N Shift Values>> N :: 116.28(3.52) 1.N44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.23 R 0.16 G 0.12 C 0.04 K 0.03 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.786(D) CA :: 52.085(D) CB :: 43.085 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 :: 8.596 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 :: 123.589 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.3 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 HN Overlap>> 1.G104 1.G104 C Shift Assignments>> C :: 172.897 CA :: 43.637(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.989(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.444(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 G 0.27 L 0.04 C Shift Assignments>> C :: 175.306(D) CA :: 52.910(D) CB :: 49.500(S) 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 :: 8.875 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 :: 120.516 Ave N Shift Values>> N :: 121.86(3.9) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 I 0.24 Y 0.2 C 0.15 K 0.09 L 0.02 R 0.01 C Shift Assignments>> C :: 174.999(D) CA :: 61.121(D) CB :: 41.466 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 :: 9.564(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.100(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 I 0.19 E 0.16 Y 0.1 V 0.07 F 0.05 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.029(D) CA :: 60.418(D) CB :: 35.991 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 :: 9.478(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 :: 125.893(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.15 R 0.15 W 0.13 H 0.12 E 0.11 Q 0.06 V 0.04 C Shift Assignments>> C :: 174.045(D) CA :: 57.917(D) CB :: 31.724 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 :: 9.330(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 :: 128.043(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.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.25 N 0.11 K 0.08 R 0.05 C 0.05 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.550(D) CA :: 51.871(D) CB :: 42.010 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 :: 9.143(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.220(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.72 C 0.09 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 174.004(D) CA :: 47.659(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.673(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.246(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.2 N 0.14 F 0.09 K 0.07 Y 0.07 C 0.05 C Shift Assignments>> C :: 173.529(D) CA :: 54.048(D) CB :: 40.905(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 :: 8.896(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.557(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 C 0.25 K 0.21 H 0.07 R 0.07 W 0.03 E 0.01 C Shift Assignments>> C :: 173.913(D) CA :: 54.289(D) CB :: 33.816(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 :: 7.685(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 :: 116.599(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 C 0.03 R 0.02 D 0.01 C Shift Assignments>> C :: 175.097(D) CA :: 53.609(D) CB :: 45.224 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 :: 8.773(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 :: 116.508(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.35 L 0.31 R 0.15 D 0.08 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.365(D) CA :: 53.478(D) CB :: 44.222 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 :: 8.936(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 :: 123.486(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.11 C 0.04 C Shift Assignments>> C :: 174.291(D) CA :: 53.580(D) CB :: 46.198 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 :: 8.899(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.424(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.21 K 0.08 I 0.07 V 0.07 Y 0.06 Q 0.06 F 0.03 C Shift Assignments>> C :: 175.242(D) CA :: 59.326(D) CB :: 35.352 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 :: 9.660(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 :: 126.903(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.07 K 0.05 N 0.01 C Shift Assignments>> C :: 174.731(D) CA :: 58.025 CB :: 40.445 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 :: 9.044(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.768(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.414 CA :: 60.512 CB :: 68.431 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.829(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 :: 104.346(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A63 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K64 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T66 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.27 Y 0.23 K 0.11 C 0.11 L 0.1 I 0.07 D 0.05 C Shift Assignments>> C :: 179.995(D) CA :: 58.379(D) CB :: 40.896(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.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 I 0.07 C 0.05 C Shift Assignments>> C :: 180.104(D) CA :: 55.059(D) CB :: 17.920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.551(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.972(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.16 E 0.14 K 0.12 Q 0.11 H 0.1 R 0.1 I 0.06 V 0.01 C Shift Assignments>> C :: 179.290(D) CA :: 58.750(D) CB :: 29.442(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 :: 8.479(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 :: 121.842(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.01 F 0.01 V 0.01 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 178.450(D) CA :: 66.268(D) CB :: 38.286 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 :: 8.582(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 :: 119.766(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.15 E 0.1 K 0.1 H 0.07 Q 0.07 R 0.07 V 0.02 C Shift Assignments>> C :: 177.189(D) CA :: 59.963(D) CB :: 29.161(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 :: 7.724(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.555(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 K 0.18 Q 0.17 V 0.13 R 0.05 W 0.05 H 0.04 E 0.02 Y 0.01 C Shift Assignments>> C :: 178.288(D) CA :: 58.977(D) CB :: 33.686(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 :: 7.510(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 :: 116.026(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 E 0.16 C 0.15 R 0.14 H 0.14 Q 0.12 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 176.865(D) CA :: 57.745(D) CB :: 30.242 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 :: 8.431(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 :: 113.444(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.61 C 0.14 F 0.12 Y 0.11 C Shift Assignments>> C :: 177.570(D) CA :: 63.091(D) CB :: 39.701 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 :: 8.158(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 :: 117.483(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G78 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 :: 173.568(D) CA :: 46.785(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.286(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.781(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.59 L 0.17 D 0.08 R 0.08 C 0.03 F 0.01 C Shift Assignments>> C :: 173.671(D) CA :: 51.110(D) CB :: 43.847(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 :: 6.203(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.136(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.31 C 0.19 W 0.05 K 0.01 R 0.01 I 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 176.313(D) CA :: 62.297(D) CB :: 31.931 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.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 C 0.24 P 0.17 W 0.1 R 0.04 I 0.04 E 0.04 H 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 176.608(D) CA :: 61.511(D) CB :: 31.298 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 :: 8.747(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.246(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.689(D) CA :: 61.713(D) CB :: 69.753(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 :: 8.397(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.106(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 E 0.25 N 0.19 Y 0.12 F 0.08 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 173.813(D) CA :: 55.132(D) CB :: 36.793(S) 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 :: 7.627(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 :: 121.381(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.A84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 L 0.27 C 0.17 K 0.05 A 0.03 C Shift Assignments>> C :: 175.427(D) CA :: 49.930(D) CB :: 24.478(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.022(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.869(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.33 E 0.19 I 0.19 Y 0.12 F 0.06 V 0.05 K 0.02 Q 0.01 HN Overlap>> 1.L220 1.L220 C Shift Assignments>> C :: 175.255(D) CA :: 60.091(D) CB :: 36.188(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 :: 8.828(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 :: 120.885(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 175.693 CA :: 58.428(D) CB :: 65.810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.732(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 :: 121.976(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V97 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.26 Y 0.22 K 0.12 L 0.11 C 0.11 D 0.06 I 0.06 C Shift Assignments>> C :: 177.615(D) CA :: 58.153(D) CB :: 40.919(S) 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.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.16 I 0.13 D 0.03 L 0.03 N 0.01 C Shift Assignments>> C :: 179.948(D) CA :: 58.313(D) CB :: 39.277 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 :: 7.771(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 :: 117.493(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.27 C 0.09 I 0.02 HN Overlap>> 1.C172 1.C172 C Shift Assignments>> C :: 178.949(D) CA :: 66.212(D) CB :: 31.601 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 :: 7.693(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 :: 123.374(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.08 I 0.07 K 0.04 N 0.01 HN Overlap>> 1.H30 1.H30 C Shift Assignments>> C :: 178.658(D) CA :: 57.760(D) CB :: 40.318 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 :: 7.696(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 :: 118.874(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>> C 0.21 W 0.18 E 0.12 R 0.1 H 0.09 Q 0.07 I 0.06 V 0.06 K 0.05 C Shift Assignments>> C :: 180.928(D) CA :: 59.789(D) CB :: 30.213 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 :: 8.837(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 :: 121.268(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.A102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 I 0.04 C 0.04 C Shift Assignments>> C :: 178.281(D) CA :: 54.610(D) CB :: 17.896(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.028(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.926(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 177.366(D) CA :: 51.842(D) CB :: 18.880(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.493(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.658(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G104 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 HN Overlap>> 1.G45 1.G45 C Shift Assignments>> C :: 174.250 CA :: 45.468(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.897(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.491(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.32 C 0.18 W 0.03 K 0.01 R 0.01 C Shift Assignments>> C :: 175.537(D) CA :: 62.511(D) CB :: 32.291(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 :: 8.011(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 :: 121.965(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.03 L 0.02 C Shift Assignments>> C :: 175.521(D) CA :: 52.434(D) CB :: 20.126(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.939(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.799(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S3 1.S3 C Shift Assignments>> C :: 173.218(D) CA :: 60.132(D) CB :: 71.114 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 :: 8.287(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 :: 115.955(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.24 K 0.1 F 0.09 D 0.06 C 0.06 Y 0.06 G 0.03 C Shift Assignments>> C :: 176.470(D) CA :: 57.010(D) CB :: 43.110 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 :: 9.184(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.249(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 A 0.22 C 0.14 K 0.05 C Shift Assignments>> C :: 175.374(D) CA :: 51.640(D) CB :: 23.114(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.699(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.289(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.244 CA :: 57.712(D) CB :: 61.798 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.298(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.172(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.51 P 0.36 C 0.09 I 0.01 C Shift Assignments>> C :: 179.967(D) CA :: 65.505(D) CB :: 31.846(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.S112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.541(D) CA :: 61.515(D) CB :: 62.751(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.687(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 :: 112.885(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.461(D) CA :: 66.041(D) CB :: 67.173 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 :: 8.194(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.022(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.15 W 0.14 I 0.14 P 0.07 E 0.06 R 0.05 H 0.04 Q 0.02 K 0.02 C Shift Assignments>> C :: 178.131(D) CA :: 61.448(D) CB :: 30.227 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.281(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.805(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.R115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.14 R 0.11 H 0.11 Q 0.09 K 0.08 I 0.05 V 0.03 HN Overlap>> 1.L216 1.L216 C Shift Assignments>> C :: 178.197(D) CA :: 59.037(D) CB :: 30.017 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 :: 7.760(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 :: 119.112(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.L116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 L 0.09 I 0.08 D 0.08 K 0.03 N 0.01 HN Overlap>> 1.V119 1.V119 C Shift Assignments>> C :: 179.214(D) CA :: 57.861(D) CB :: 40.185 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 :: 8.071(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 :: 119.874(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.65 I 0.25 C 0.08 C Shift Assignments>> C :: 178.829(D) CA :: 55.915(D) CB :: 17.530(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.596(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.607(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.13 R 0.09 H 0.09 K 0.09 Q 0.08 I 0.08 V 0.03 HN Overlap>> 1.E192 1.E192 C Shift Assignments>> C :: 180.018(D) CA :: 59.486(D) CB :: 29.666(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 :: 7.646(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 :: 118.045(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 P 0.29 C 0.09 I 0.01 HN Overlap>> 1.L116 1.L116 C Shift Assignments>> C :: 178.015(D) CA :: 66.040(D) CB :: 31.787(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 :: 8.052(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 :: 119.950(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 E 0.15 W 0.14 Q 0.14 C 0.13 K 0.08 C Shift Assignments>> C :: 176.551(D) CA :: 56.628(D) CB :: 30.163(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 :: 7.785(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 :: 117.765(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G121 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 :: 175.173(D) CA :: 45.697(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.798(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.222(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.48 D 0.29 L 0.08 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.180(D) CA :: 51.267(D) CB :: 40.046(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 :: 8.251(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 :: 119.820(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.15 R 0.15 E 0.14 H 0.14 Q 0.09 K 0.09 V 0.02 I 0.01 HN Overlap>> 1.L132 1.L132 C Shift Assignments>> C :: 174.512(D) CA :: 57.805(D) CB :: 30.872 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 :: 8.152(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 :: 119.742(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 K 0.19 Y 0.19 L 0.1 C 0.1 I 0.06 D 0.04 R 0.03 C Shift Assignments>> C :: 176.053(D) CA :: 58.537(D) CB :: 41.382 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 :: 8.089(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 :: 115.740(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.42 P 0.31 C 0.18 W 0.02 K 0.01 C Shift Assignments>> C :: 175.261(D) CA :: 62.627(D) CB :: 32.616 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.T126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.914(D) CA :: 67.473(D) CB :: 70.592 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 :: 8.519(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.502(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 C 0.2 Q 0.19 R 0.11 H 0.11 W 0.07 E 0.04 V 0.01 C Shift Assignments>> C :: 175.114(D) CA :: 55.370(D) CB :: 32.942(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 :: 8.836(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 :: 118.480(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 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 :: 175.357(D) CA :: 57.523(D) CB :: 65.071(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.660(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.561(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>> L 0.33 G 0.26 R 0.19 D 0.1 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 175.586(D) CA :: 53.748(D) CB :: 44.071(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 :: 7.973(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 :: 125.792(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 C 0.14 W 0.13 E 0.12 K 0.11 Q 0.1 C Shift Assignments>> C :: 176.495(D) CA :: 56.005(D) CB :: 31.102(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 :: 8.354(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.517(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G131 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 :: 174.084(D) CA :: 45.870(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.576(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.21 R 0.2 K 0.06 G 0.04 C 0.04 F 0.04 N 0.02 Y 0.02 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> C :: 175.652(D) CA :: 53.280(D) CB :: 42.983(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 :: 8.135(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 :: 119.688(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S133 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.T180 1.T180 C Shift Assignments>> C :: 174.467(D) CA :: 60.475(D) CB :: 64.952(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.420(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.507(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.416(D) CA :: 57.186(D) CB :: 64.929(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.003(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 :: 119.147(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.679(D) CA :: 59.668(D) CB :: 62.324(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.697(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 :: 120.105(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.221(D) CA :: 44.731(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.921(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.934(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.2 D 0.16 R 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 173.783(D) CA :: 55.685(D) CB :: 42.232(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 :: 8.080(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 :: 123.519(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 C 0.2 P 0.14 A 0.08 K 0.08 C Shift Assignments>> C :: 177.532(D) CA :: 50.417(D) CB :: 24.021(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.994(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.651(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 I 0.24 E 0.15 Y 0.15 F 0.09 V 0.02 K 0.01 C Shift Assignments>> C :: 174.502(D) CA :: 60.193(D) CB :: 36.683(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 :: 9.094(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.865(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.16 Q 0.15 W 0.13 E 0.13 C 0.12 K 0.09 C Shift Assignments>> C :: 175.519(D) CA :: 55.400(D) CB :: 30.083(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 :: 8.803(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 :: 125.086(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.F141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.18 F 0.17 Y 0.13 D 0.11 C 0.07 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 173.579(D) CA :: 57.069(D) CB :: 41.545 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 :: 8.993(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 :: 130.135(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.822 CA :: 44.909(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.456(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.647(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 P 0.36 C 0.14 W 0.01 C Shift Assignments>> C :: 175.346(D) CA :: 63.414(D) CB :: 32.681(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.V144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 E 0.15 Q 0.15 K 0.14 V 0.06 Y 0.03 I 0.02 R 0.02 H 0.02 W 0.02 F 0.01 C Shift Assignments>> C :: 174.216(D) CA :: 58.465(D) CB :: 34.767(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 :: 7.606(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.507(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 C 0.24 K 0.23 H 0.06 R 0.05 W 0.03 E 0.01 V 0.01 Y 0.01 C Shift Assignments>> C :: 174.721(D) CA :: 55.584(D) CB :: 34.051 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 :: 9.562(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 :: 121.713(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.21 G 0.15 D 0.15 C 0.04 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.730(D) CA :: 53.193(D) CB :: 43.600 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 :: 9.320(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 :: 124.787(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.29 D 0.12 K 0.06 F 0.05 C 0.04 G 0.04 Y 0.03 C Shift Assignments>> C :: 174.175(D) CA :: 55.180(D) CB :: 43.290(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 :: 9.035(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 :: 122.736(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.68 D 0.11 C 0.09 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 172.854(D) CA :: 51.770(D) CB :: 38.312 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 :: 8.541(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 :: 127.779(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.789(D) CA :: 43.692(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.A151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 L 0.11 C 0.05 C Shift Assignments>> C :: 177.637(D) CA :: 52.475(D) CB :: 21.038(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.001(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.679(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 172.680(D) CA :: 52.957(D) CB :: 16.624(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.425(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.229(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.17 I 0.13 W 0.1 Q 0.1 L 0.07 K 0.07 E 0.07 H 0.06 C Shift Assignments>> C :: 172.168(D) CA :: 58.626 CB :: 27.456 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.279(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.382(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.471(D) CA :: 57.313(D) CB :: 65.291(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.742(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 :: 107.282(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.925(D) CA :: 65.358(D) CB :: 68.999 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 :: 9.648(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.766(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.26 L 0.15 F 0.07 C 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 176.048(D) CA :: 53.099(D) CB :: 40.557 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 :: 10.186(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 :: 117.484(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.19 Y 0.13 F 0.13 C 0.11 L 0.07 I 0.01 C Shift Assignments>> C :: 175.366(D) CA :: 54.545(D) CB :: 39.010 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 :: 6.545(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.246(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.1 C 0.04 C Shift Assignments>> C :: 177.912(D) CA :: 53.317(D) CB :: 46.332 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 :: 8.943(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 :: 119.773(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 V 0.22 K 0.13 Q 0.11 W 0.04 R 0.03 H 0.03 E 0.02 I 0.01 Y 0.01 C Shift Assignments>> C :: 173.778(D) CA :: 59.911(D) CB :: 33.766 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 :: 9.183(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 :: 113.756(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 I 0.24 E 0.12 Y 0.09 V 0.08 F 0.05 K 0.02 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 173.213(D) CA :: 60.954(D) CB :: 36.057 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 :: 8.610(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 :: 119.669(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.28 D 0.12 K 0.05 F 0.05 G 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 174.709(D) CA :: 54.943(D) CB :: 43.322 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 :: 9.666(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 :: 128.623(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.14 W 0.14 R 0.13 H 0.1 E 0.1 V 0.08 Q 0.04 C Shift Assignments>> C :: 175.113(D) CA :: 58.716(D) CB :: 31.834 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 :: 8.679(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 :: 126.945(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.47 P 0.39 C 0.09 I 0.01 C Shift Assignments>> C :: 176.324(D) CA :: 65.248(D) CB :: 31.796 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.S164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.586(D) CA :: 60.582(D) CB :: 62.375(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.728(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 :: 113.086(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 L 0.17 C 0.08 C Shift Assignments>> C :: 175.469(D) CA :: 50.785(D) CB :: 21.910(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.630(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.707(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.124(D) CA :: 58.589(D) CB :: 61.529(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.634(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 :: 112.043(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 V 0.22 K 0.07 E 0.07 I 0.06 Q 0.06 Y 0.03 W 0.01 R 0.01 F 0.01 H 0.01 C Shift Assignments>> C :: 172.609(D) CA :: 60.529(D) CB :: 34.656(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 :: 6.682(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.973(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.1 C 0.02 D 0.01 C Shift Assignments>> C :: 173.589 CA :: 53.109(D) CB :: 45.592 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 :: 9.425(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.096(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 D 0.2 Y 0.19 L 0.14 C 0.1 N 0.07 K 0.03 I 0.02 C Shift Assignments>> C :: 174.265(D) CA :: 56.146(D) CB :: 40.185 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 :: 10.088(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 :: 128.792(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.893 CA :: 44.986(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.684(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.218(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.075 CA :: 45.728 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.C172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.39 I 0.39 C 0.15 R 0.01 W 0.01 HN Overlap>> 1.V99 1.V99 C Shift Assignments>> C :: 173.804 CA :: 62.660 CB :: 26.273 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.705 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 :: 123.325 Ave N Shift Values>> N :: 120.17(4.64) 1.A173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 174.185(D) CA :: 53.060(D) CB :: 17.651(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.600(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.695(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.27 C 0.13 I 0.12 L 0.06 K 0.04 D 0.03 C Shift Assignments>> C :: 174.355 CA :: 58.809(D) CB :: 40.382 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 :: 7.187(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 :: 113.518(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.24 F 0.09 Y 0.08 C 0.08 L 0.08 C Shift Assignments>> C :: 174.463 CA :: 53.641 CB :: 39.350 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 :: 9.037(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 :: 128.762(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 R 0.14 W 0.13 K 0.12 C 0.12 E 0.11 C Shift Assignments>> C :: 176.553(D) CA :: 54.887 CB :: 29.624 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 :: 8.501 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 :: 116.130 Ave N Shift Values>> N :: 120.67(3.48) 1.L177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 L 0.18 F 0.15 R 0.12 Y 0.1 D 0.08 C 0.06 I 0.01 C Shift Assignments>> C :: 177.977(D) CA :: 57.336(D) CB :: 42.108(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 :: 8.386(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 :: 121.179(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.642(D) CA :: 59.250(D) CB :: 63.267(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.491(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 :: 108.650(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 C 0.14 W 0.14 E 0.14 Q 0.11 K 0.09 V 0.01 C Shift Assignments>> C :: 175.803(D) CA :: 56.450(D) CB :: 30.843 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 :: 7.714(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 :: 124.676(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.T180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S133 1.S133 C Shift Assignments>> C :: 173.851(D) CA :: 61.487 CB :: 69.468 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 :: 8.332(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.500(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.154 CA :: 56.547(D) CB :: 65.349(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.524(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 :: 115.626(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 178.116 CA :: 53.221 CB :: 18.420 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.629 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.774 Ave N Shift Values>> N :: 123.23(3.54) 1.G183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.744 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.649 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.009 Ave N Shift Values>> N :: 109.67(3.87) 1.N184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.11 Q 0.11 R 0.1 K 0.09 L 0.09 E 0.07 W 0.07 C 0.06 F 0.06 Y 0.05 D 0.05 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 179.387(D) CA :: 56.326 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.V185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.2 W 0.12 K 0.09 R 0.08 E 0.07 H 0.06 P 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.041(D) CA :: 60.144(D) CB :: 31.878 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 :: 8.493(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 :: 119.386(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 C 0.09 I 0.08 V 0.02 L 0.01 C Shift Assignments>> C :: 178.639(D) CA :: 55.582(D) CB :: 18.865(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.200(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.680(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.27 K 0.15 R 0.06 F 0.06 N 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 174.908(D) CA :: 54.055(D) CB :: 41.938 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 :: 8.017(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 :: 114.477(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 L 0.36 C 0.1 K 0.01 C Shift Assignments>> C :: 177.404(D) CA :: 52.047(D) CB :: 22.185 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.203(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.426(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.25 N 0.1 K 0.09 R 0.05 C 0.05 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.A191 1.A191 C Shift Assignments>> C :: 176.296(D) CA :: 52.213(D) CB :: 41.990 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 :: 7.941(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.909(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 K 0.18 L 0.11 C 0.1 I 0.06 D 0.05 R 0.02 C Shift Assignments>> C :: 178.140(D) CA :: 58.369(D) CB :: 41.270(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 :: 8.677(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 :: 122.620(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.03 I 0.01 HN Overlap>> 1.D189 1.D189 C Shift Assignments>> C :: 179.844(D) CA :: 54.277(D) CB :: 18.683(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.933(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.805(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 R 0.18 C 0.16 W 0.12 Q 0.11 E 0.1 K 0.09 HN Overlap>> 1.E118 1.E118 C Shift Assignments>> C :: 177.633(D) CA :: 54.212(D) CB :: 30.958(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 :: 7.696(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 :: 117.970(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W193 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.65 P 0.18 C 0.1 I 0.04 C Shift Assignments>> C :: 179.327(D) CA :: 66.819(D) CB :: 31.282(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.T195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.657(D) CA :: 66.212(D) CB :: 68.277(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 :: 7.503(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 :: 117.741(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.22 P 0.1 C 0.06 F 0.03 Y 0.02 S 0.02 W 0.02 C Shift Assignments>> C :: 176.643(D) CA :: 62.074(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.940(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 :: 122.422(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 V 0.32 C 0.26 Y 0.01 C Shift Assignments>> C :: 177.884(D) CA :: 64.740(D) CB :: 35.808(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 :: 8.319(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 :: 120.517(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.15 K 0.1 E 0.1 Q 0.08 H 0.07 R 0.07 V 0.02 C Shift Assignments>> C :: 179.299(D) CA :: 59.867(D) CB :: 29.047(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 :: 7.941(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.144(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.17 I 0.14 E 0.09 V 0.08 R 0.07 H 0.06 K 0.05 Q 0.04 P 0.02 C Shift Assignments>> C :: 179.996(D) CA :: 60.760(D) CB :: 29.900 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 :: 8.224(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 :: 117.966(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.I200 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.81 C 0.13 Y 0.01 F 0.01 V 0.01 HN Overlap>> 1.L216 1.L216 C Shift Assignments>> C :: 176.874(D) CA :: 66.401(D) CB :: 38.204 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 :: 7.873(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 :: 119.063(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.14 I 0.13 K 0.13 E 0.1 Q 0.1 H 0.08 R 0.07 L 0.01 C Shift Assignments>> C :: 177.760(D) CA :: 59.110(D) CB :: 28.502(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 :: 8.355(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 :: 119.106(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.14 W 0.14 C 0.13 E 0.12 H 0.11 R 0.08 I 0.04 L 0.02 C Shift Assignments>> C :: 177.455(D) CA :: 57.617(D) CB :: 28.684(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 :: 8.119(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 :: 113.819(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 K 0.14 Q 0.13 C 0.13 H 0.12 R 0.11 I 0.03 C Shift Assignments>> C :: 174.377(D) CA :: 57.635(D) CB :: 29.377(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 :: 7.591(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 :: 117.052(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 C 0.18 Y 0.18 F 0.15 D 0.08 E 0.07 L 0.03 I 0.02 C Shift Assignments>> C :: 173.198(D) CA :: 55.300(D) CB :: 37.989(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 :: 7.550(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 :: 115.207(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.44 P 0.42 C 0.1 I 0.01 C Shift Assignments>> C :: 177.985(D) CA :: 64.653(D) CB :: 32.055(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.E206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.16 R 0.13 K 0.13 W 0.12 C 0.12 E 0.11 C Shift Assignments>> C :: 176.141(D) CA :: 55.113(D) CB :: 29.510(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 :: 8.397(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 :: 117.049(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 176.641(D) CA :: 53.781(D) CB :: 19.268(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.134(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.025(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 C 0.15 W 0.13 E 0.13 K 0.11 Q 0.1 V 0.01 C Shift Assignments>> C :: 175.258(D) CA :: 56.277(D) CB :: 31.121(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 :: 8.728(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.485(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F209 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.26 L 0.24 K 0.14 F 0.09 D 0.08 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 174.042(D) CA :: 56.708(D) CB :: 42.831(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.634(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 :: 117.836(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.32 C 0.3 K 0.09 W 0.06 P 0.05 Q 0.04 R 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 174.128(D) CA :: 60.709(D) CB :: 32.981 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 :: 9.187(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 :: 125.307(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 Y 0.21 D 0.18 L 0.13 C 0.1 N 0.06 I 0.03 K 0.02 C Shift Assignments>> C :: 174.118 CA :: 56.374(D) CB :: 40.106 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 :: 9.147(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 :: 126.551(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.45 C 0.3 P 0.08 K 0.03 I 0.03 Q 0.02 W 0.02 R 0.01 C Shift Assignments>> C :: 175.498 CA :: 61.918 CB :: 33.854 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.G213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 171.820(D) CA :: 47.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.423(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.410(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 H 0.17 C 0.15 W 0.12 K 0.12 E 0.11 Q 0.1 C Shift Assignments>> C :: 173.992(D) CA :: 55.466(D) CB :: 31.278 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 :: 7.554(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 :: 114.556(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G215 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.904(D) CA :: 44.783(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.142(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.919(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L216 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.25 R 0.12 K 0.12 F 0.05 C 0.04 N 0.04 Y 0.03 G 0.01 HN Overlap>> 1.I200 1.I200 1.R115 1.R115 C Shift Assignments>> C :: 175.516 CA :: 53.670(D) CB :: 42.399 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 :: 7.764(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 :: 119.060(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P217 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.47 C 0.26 P 0.14 K 0.02 W 0.02 I 0.02 Q 0.01 R 0.01 C Shift Assignments>> C :: 176.207(D) CA :: 62.134(D) CB :: 33.511 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.G218 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 172.488(D) CA :: 46.441(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.476(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.011(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G219 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.915(D) CA :: 44.085(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.450(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.824(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L220 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.17 L 0.16 Y 0.12 R 0.09 C 0.07 D 0.07 I 0.02 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> C :: 179.274(D) CA :: 57.752(D) CB :: 41.957 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 :: 8.818(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 :: 120.821(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D221 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.23 C 0.18 N 0.08 D 0.08 I 0.06 L 0.04 E 0.03 C Shift Assignments>> C :: 178.506(D) CA :: 56.639(D) CB :: 38.595(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.514(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 :: 120.278(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L222 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.24 I 0.16 C 0.13 K 0.08 L 0.04 D 0.01 C Shift Assignments>> C :: 180.419(D) CA :: 59.661(D) CB :: 40.890 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 :: 8.340(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 :: 120.747(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L223 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.32 Y 0.25 F 0.23 C 0.16 C Shift Assignments>> C :: 177.474(D) CA :: 60.404(D) CB :: 39.201 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.165(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.730(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K224 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 K 0.15 W 0.12 V 0.11 R 0.11 H 0.09 E 0.08 Q 0.04 C Shift Assignments>> C :: 178.245(D) CA :: 59.006(D) CB :: 32.181(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 :: 6.872(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.022(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H225 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.16 W 0.14 K 0.1 R 0.1 E 0.08 H 0.07 Q 0.03 P 0.02 I 0.01 C Shift Assignments>> C :: 176.474(D) CA :: 59.895(D) CB :: 31.732 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 :: 8.172(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 :: 117.661(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T226 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.057(D) CA :: 68.588(D) CB :: 69.224 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 :: 7.905(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.015(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T227 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.809(D) CA :: 68.001(D) CB :: 69.061(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 :: 7.662(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 :: 116.374(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N228 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Y 0.21 F 0.15 E 0.14 N 0.13 D 0.04 I 0.04 L 0.01 C Shift Assignments>> C :: 178.208(D) CA :: 56.071(D) CB :: 37.645(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 :: 7.796(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 :: 119.434(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V229 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 P 0.2 C 0.09 I 0.01 C Shift Assignments>> C :: 178.806(D) CA :: 66.619(D) CB :: 32.021 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 :: 7.925(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 :: 121.100(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V230 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 P 0.18 C 0.1 I 0.03 C Shift Assignments>> C :: 178.952(D) CA :: 66.841(D) CB :: 31.368 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 :: 8.069(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.885(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K231 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.17 K 0.13 W 0.11 R 0.09 H 0.07 E 0.06 Q 0.04 P 0.01 C Shift Assignments>> C :: 178.659(D) CA :: 59.675(D) CB :: 32.265 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 :: 8.388(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.516(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A232 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.02 I 0.01 C Shift Assignments>> C :: 179.093(D) CA :: 53.864(D) CB :: 18.271(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.679(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.598(D) Ave N Shift Values>> N :: 123.23(3.54) 1.H233 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 R 0.13 E 0.12 H 0.1 K 0.08 V 0.07 Q 0.06 I 0.01 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 176.718(D) CA :: 59.132(D) CB :: 31.116 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 :: 7.772(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 :: 118.373(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T234 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.615(D) CA :: 63.140(D) CB :: 69.583(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 :: 7.736(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 :: 112.339(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N235 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.17 C 0.1 Y 0.09 F 0.08 L 0.05 C Shift Assignments>> C :: 175.140(D) CA :: 53.596(D) CB :: 38.789(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 :: 8.102(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 :: 120.478(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R236 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.16 E 0.14 W 0.14 C 0.14 Q 0.12 K 0.08 C Shift Assignments>> C :: 176.251(D) CA :: 56.427(D) CB :: 30.659(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 :: 7.985(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.778(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.S237 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.306(D) CA :: 58.489(D) CB :: 63.841(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.271(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.737(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V238 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.23 C 0.21 W 0.03 K 0.02 R 0.01 C Shift Assignments>> C :: 175.873(D) CA :: 62.307(D) CB :: 32.902(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 :: 8.036(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 :: 121.492(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V239 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.24 C 0.21 W 0.03 K 0.02 R 0.01 C Shift Assignments>> C :: 175.126(D) CA :: 62.315(D) CB :: 32.889(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 :: 8.147(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 :: 123.918(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E240 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 R 0.15 W 0.14 H 0.13 K 0.12 E 0.12 Q 0.07 V 0.04 C Shift Assignments>> C :: 180.863(D) CA :: 58.058(D) CB :: 31.452(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 :: 7.946(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 :: 129.941(D) Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 35 #Clerical: 201 #Suspicious: 3 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 211 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 28 Shift Relative Order (SRO) Results: #Consistent: 240 #Suspicious: 0 C Shift Results: #Consistent: 131 #Duplicate: 478 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 7 #Duplicate: 185 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 7 #Duplicate: 186 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V1 C = 175.909(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.7910e-01 1.V1 CA = 62.640(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5817e-01 1.V1 CB = 32.629(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5500e-01 1.D2 C = 176.350(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.7721e-01 1.D2 CA = 54.489(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2113e-01 1.D2 CB = 41.248(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2030e-01 1.D2 H = 8.498(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.4583e-01 1.D2 N = 123.107(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2443e-01 1.S3 C = 174.951(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4740e-01 1.S3 CA = 58.433(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8973e-01 1.S3 CB = 63.888(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.5259e-01 1.S3 H = 8.210(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0556e-01 1.S3 N = 116.002(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3705e-01 1.S4 C = 175.057(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9944e-01 1.S4 CA = 59.104(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5283e-01 1.S4 CB = 63.874(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6012e-01 1.S4 H = 8.471(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4614e-01 1.S4 N = 118.011(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.2289e-01 1.G5 C = 174.250(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3982e-01 1.G5 CA = 45.407(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6607e-01 1.G5 H = 8.390(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2645e-01 1.G5 N = 110.325(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6560e-01 1.E6 C = 175.752(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.6642e-01 1.E6 CA = 55.989(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2423e-01 1.E6 CB = 30.622(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.2198e-01 1.E6 H = 8.382(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2977e-01 1.E6 N = 121.025(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1875e-01 1.Y7 C = 174.548(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.6855e-01 1.Y7 CA = 57.619(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.3868e-01 1.Y7 CB = 39.313(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.9741e-01 1.Y7 H = 8.510(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.9465e-01 1.Y7 N = 127.361(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.0335e-01 1.P8 C = 174.795(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.9542e-01 1.P8 CA = 63.568(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7558e-01 1.T9 C = 176.309(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.1484e-01 1.T9 CA = 59.916(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.7369e-01 1.T9 CB = 71.841(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.9529e-01 1.T9 H = 7.839(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1778e-01 1.T9 N = 110.916(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4302e-01 1.V10 C = 179.066(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9727e-02 1.V10 CA = 65.242(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3593e-01 1.V10 H = 8.425(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4031e-01 1.V10 N = 117.327(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.0098e-01 1.S11 C = 175.114(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7395e-01 1.S11 CA = 60.813(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.1196e-01 1.S11 CB = 62.119(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5604e-01 1.S11 H = 8.184(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7075e-01 1.S11 N = 111.024(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.3539e-01 1.E12 C = 175.612(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1884e-01 1.E12 CA = 56.300(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2552e-01 1.E12 CB = 31.254(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6952e-01 1.E12 H = 7.706(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9023e-01 1.E12 N = 118.296(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9512e-01 1.I13 C = 172.925(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.2765e-01 1.I13 CA = 58.888(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.0979e-01 1.I13 H = 7.057(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2093e-02 1.I13 N = 120.071(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4553e-01 1.G16 C = 173.697(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.2668e-01 1.G16 CA = 45.115(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6079e-01 1.E17 C = 174.757(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.7855e-01 1.E17 CA = 55.263(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.2501e-01 1.E17 CB = 31.760(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.0894e-01 1.E17 H = 7.973(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4512e-01 1.E17 N = 119.159(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6415e-01 1.V18 C = 175.900(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8284e-01 1.V18 CA = 60.082(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9981e-01 1.V18 H = 8.227(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2509e-01 1.V18 N = 115.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3872e-01 1.R19 C = 174.251(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.8753e-01 1.R19 CA = 52.551(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7789e-02 1.R19 CB = 33.938(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6827e-02 1.R19 H = 9.070(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7362e-01 1.R19 N = 121.977(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.4909e-01 1.L20 C = 176.908(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.6697e-01 1.L20 CA = 53.026(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2328e-01 1.L20 H = 8.842(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4643e-01 1.L20 N = 119.065(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7358e-01 1.Y21 C = 174.265(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.6844e-01 1.Y21 CA = 57.427(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7942e-01 1.Y21 H = 9.083(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.9593e-01 1.Y21 N = 123.506(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.7711e-01 1.Q22 C = 173.844(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.0601e-01 1.Q22 CA = 57.361(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.1166e-01 1.Q22 H = 8.669(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4665e-01 1.Q22 N = 129.394(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2906e-03 1.I23 C = 174.711(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.5303e-01 1.I23 CA = 61.639(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9137e-01 1.I23 H = 8.491(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.5634e-01 1.I23 N = 129.516(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.9803e-02 1.A24 C = 175.711(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.4080e-01 1.A24 CA = 50.103(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2507e-01 1.A24 CB = 21.773(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.3109e-01 1.A24 H = 7.971(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0271e-01 1.A24 N = 119.400(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.7929e-01 1.D25 C = 177.169(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.6035e-01 1.D25 CA = 56.514(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6891e-01 1.D25 CB = 40.449(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9020e-01 1.D25 H = 8.422(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4688e-01 1.D25 N = 119.902(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4635e-01 1.G26 C = 173.069(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.7006e-01 1.G26 CA = 46.611(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4668e-01 1.G26 H = 8.161(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9486e-01 1.G26 N = 112.879(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0699e-01 1.V27 C = 173.488(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6182e-01 1.V27 CA = 61.668(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7380e-01 1.V27 CB = 35.141(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7800e-01 1.V27 H = 7.290(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3556e-01 1.V27 N = 117.534(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2704e-01 1.W28 C = 176.207(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.6548e-01 1.W28 CA = 57.223(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.6550e-01 1.W28 H = 9.756(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.3497e-02 1.W28 N = 128.466(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.0449e-01 1.S29 C = 174.293(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4922e-01 1.S29 CA = 56.991(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0357e-01 1.S29 H = 9.950(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6474e-03 1.S29 N = 115.582(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4281e-01 1.H30 C = 173.470(D), Expected = 175.25, Std = 1.9700, ChiSquare = 3.6623e-01 1.H30 CA = 53.618(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.0902e-01 1.H30 H = 7.801(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.1855e-01 1.H30 N = 118.893(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.4207e-01 1.I31 C = 173.825(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9157e-01 1.I31 H = 9.091(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.3301e-01 1.I31 N = 121.141(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4059e-01 1.A32 CA = 50.165(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3296e-01 1.A32 H = 8.687(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1698e-01 1.A32 N = 128.214(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5916e-01 1.D37 C = 175.801(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.3214e-01 1.D37 CA = 55.246(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8417e-01 1.D37 CB = 40.070(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.1707e-01 1.G38 C = 173.437(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1784e-01 1.G38 CA = 45.630(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3448e-01 1.G38 H = 8.391(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2523e-01 1.G38 N = 104.252(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6151e-01 1.A39 C = 175.304(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.5276e-01 1.A39 CA = 50.768(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3092e-01 1.A39 CB = 21.316(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.0763e-01 1.A39 H = 7.831(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3855e-01 1.A39 N = 124.401(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4080e-01 1.V40 C = 174.909(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.0825e-01 1.V40 CA = 61.720(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.8775e-01 1.V40 H = 7.902(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6252e-01 1.V40 N = 120.026(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0617e-01 1.Y41 H = 8.942(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.9418e-01 1.Y41 N = 126.053(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.8771e-01 1.N44 C = 174.786(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.8686e-01 1.N44 CA = 52.085(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.3897e-01 1.G45 CA = 43.637(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0112e-01 1.G45 H = 7.989(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9985e-01 1.G45 N = 106.444(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0451e-01 1.L46 C = 175.306(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9504e-01 1.L46 CA = 52.910(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0327e-01 1.L46 CB = 49.500(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.3105e-04 1.I47 C = 174.999(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.5760e-01 1.I47 CA = 61.121(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.5522e-01 1.I47 H = 9.564(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.8995e-02 1.I47 N = 123.100(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0159e-01 1.V48 C = 175.029(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.5576e-01 1.V48 CA = 60.418(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.6877e-01 1.V48 H = 9.478(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6207e-02 1.V48 N = 125.893(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9514e-01 1.R49 C = 174.045(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.4401e-01 1.R49 CA = 57.917(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.1952e-01 1.R49 H = 9.330(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3956e-02 1.R49 N = 128.043(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.9044e-02 1.D50 C = 175.550(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.2717e-01 1.D50 CA = 51.871(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6493e-01 1.D50 H = 9.143(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5094e-01 1.D50 N = 129.220(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.6405e-02 1.G51 C = 174.004(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4318e-01 1.G51 CA = 47.659(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.4864e-02 1.G51 H = 8.673(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9771e-01 1.G51 N = 113.246(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5547e-01 1.D52 C = 173.529(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.0089e-01 1.D52 CA = 54.048(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5181e-01 1.D52 CB = 40.905(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8769e-01 1.D52 H = 8.896(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.1233e-01 1.D52 N = 129.557(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.1026e-02 1.E53 C = 173.913(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.2942e-01 1.E53 CA = 54.289(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4699e-01 1.E53 CB = 33.816(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6912e-02 1.E53 H = 7.685(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7430e-01 1.E53 N = 116.599(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4207e-01 1.L54 C = 175.097(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3904e-01 1.L54 CA = 53.609(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4510e-01 1.L54 H = 8.773(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0350e-01 1.L54 N = 116.508(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6997e-01 1.L55 C = 174.365(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.8492e-01 1.L55 CA = 53.478(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1459e-01 1.L55 H = 8.936(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7741e-01 1.L55 N = 123.486(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7673e-01 1.L56 C = 174.291(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7284e-01 1.L56 CA = 53.580(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3819e-01 1.L56 H = 8.899(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0337e-01 1.L56 N = 128.424(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2360e-02 1.I57 C = 175.242(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.5150e-01 1.I57 CA = 59.326(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.9408e-01 1.I57 H = 9.660(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.2416e-02 1.I57 N = 126.903(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0347e-01 1.D58 C = 174.731(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4023e-01 1.D58 H = 9.044(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0569e-01 1.D58 N = 118.768(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2586e-01 1.T59 H = 6.829(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2858e-02 1.T59 N = 104.346(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.9734e-02 1.L70 C = 179.995(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2910e-01 1.L70 CA = 58.379(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9521e-01 1.L70 CB = 40.896(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.5197e-01 1.A71 C = 180.104(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6706e-01 1.A71 CA = 55.059(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3245e-01 1.A71 H = 7.551(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7940e-01 1.A71 N = 121.972(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2231e-01 1.E72 C = 179.290(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.1460e-01 1.E72 CA = 58.750(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9384e-01 1.E72 CB = 29.442(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4122e-01 1.E72 H = 8.479(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0062e-01 1.E72 N = 121.842(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3628e-01 1.I73 C = 178.450(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.7568e-01 1.I73 CA = 66.268(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.2200e-02 1.I73 H = 8.582(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5696e-01 1.I73 N = 119.766(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.9226e-01 1.E74 C = 177.189(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7005e-01 1.E74 CA = 59.963(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0602e-01 1.E74 CB = 29.161(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2159e-01 1.E74 H = 7.724(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0436e-01 1.E74 N = 122.555(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.8805e-01 1.K75 C = 178.288(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.0994e-01 1.K75 CA = 58.977(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5686e-01 1.K75 CB = 33.686(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.1470e-01 1.K75 H = 7.510(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5707e-01 1.K75 N = 116.026(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.8265e-01 1.Q76 C = 176.865(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.7594e-01 1.Q76 CA = 57.745(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.8296e-01 1.Q76 H = 8.431(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.2062e-01 1.Q76 N = 113.444(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3365e-02 1.I77 C = 177.570(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.7034e-01 1.I77 CA = 63.091(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8053e-01 1.I77 H = 8.158(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5761e-01 1.I77 N = 117.483(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5278e-01 1.G78 C = 173.568(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7238e-01 1.G78 CA = 46.785(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.8422e-01 1.G78 H = 8.286(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4603e-01 1.G78 N = 104.781(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0648e-01 1.L79 C = 173.671(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.3687e-02 1.L79 CA = 51.110(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.4228e-02 1.L79 CB = 43.847(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1361e-01 1.L79 H = 6.203(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8180e-03 1.L79 N = 117.136(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2579e-01 1.P80 C = 176.313(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.7227e-01 1.P80 CA = 62.297(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9675e-01 1.V81 C = 176.608(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.0306e-01 1.V81 CA = 61.511(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.3212e-01 1.V81 H = 8.747(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9518e-01 1.V81 N = 122.246(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0753e-01 1.T82 C = 176.689(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.2208e-01 1.T82 CA = 61.713(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4480e-01 1.T82 CB = 69.753(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.8874e-01 1.T82 H = 8.397(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.0009e-01 1.T82 N = 114.106(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8206e-01 1.R83 C = 173.813(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.0079e-01 1.R83 CA = 55.132(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.7827e-01 1.R83 CB = 36.793(S), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7000e-04 1.R83 H = 7.627(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1494e-01 1.R83 N = 121.381(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.7455e-01 1.A84 C = 175.427(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.7752e-01 1.A84 CA = 49.930(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0497e-01 1.A84 CB = 24.478(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.8083e-03 1.A84 H = 9.022(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7069e-01 1.A84 N = 121.869(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0063e-01 1.V85 C = 175.255(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.4766e-01 1.V85 CA = 60.091(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0158e-01 1.V85 CB = 36.188(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.3379e-02 1.V85 H = 8.828(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.2198e-01 1.V85 N = 120.885(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5521e-01 1.S86 CA = 58.428(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8782e-01 1.S86 H = 7.732(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.5299e-01 1.S86 N = 121.976(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.0562e-01 1.V97 Typing: Mistyped 1.V97 C = 177.615(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9372e-01 1.V97 CA = 58.153(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2941e-01 1.V97 CB = 40.919(S), Expected = 32.73, Std = 1.7900, ChiSquare = 4.7654e-06 1.D98 C = 179.948(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.2619e-02 1.D98 CA = 58.313(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.4305e-02 1.D98 H = 7.771(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.5273e-01 1.D98 N = 117.493(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1343e-01 1.V99 C = 178.949(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9756e-02 1.V99 CA = 66.212(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9312e-01 1.V99 H = 7.693(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7291e-01 1.V99 N = 123.374(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.2267e-01 1.L100 C = 178.658(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9955e-01 1.L100 CA = 57.760(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1504e-01 1.L100 H = 7.696(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1134e-01 1.L100 N = 118.874(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4389e-01 1.R101 C = 180.928(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.6040e-02 1.R101 CA = 59.789(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.9124e-01 1.R101 H = 8.837(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.2773e-01 1.R101 N = 121.268(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9880e-01 1.A102 C = 178.281(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.9950e-01 1.A102 CA = 54.610(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.5783e-01 1.A102 CB = 17.896(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4269e-01 1.A102 H = 8.028(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7437e-01 1.A102 N = 122.926(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3157e-01 1.A103 C = 177.366(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6062e-01 1.A103 CA = 51.842(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.1211e-01 1.A103 CB = 18.880(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4337e-01 1.A103 H = 7.493(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3866e-01 1.A103 N = 119.658(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.1296e-01 1.G104 CA = 45.468(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2983e-01 1.G104 H = 7.897(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0531e-01 1.G104 N = 106.491(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1139e-01 1.V105 C = 175.537(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.6516e-01 1.V105 CA = 62.511(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.9414e-01 1.V105 CB = 32.291(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.0626e-01 1.V105 H = 8.011(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7710e-01 1.V105 N = 121.965(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5580e-01 1.A106 C = 175.521(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.9751e-01 1.A106 CA = 52.434(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2142e-01 1.A106 CB = 20.126(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4197e-01 1.A106 H = 7.939(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6356e-01 1.A106 N = 131.799(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5494e-02 1.T107 C = 173.218(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.5257e-01 1.T107 CA = 60.132(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2014e-01 1.T107 H = 8.287(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.3957e-01 1.T107 N = 115.955(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.1032e-01 1.Y108 C = 176.470(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.9079e-01 1.Y108 CA = 57.010(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.5544e-01 1.Y108 H = 9.184(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.3659e-01 1.Y108 N = 120.249(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.4855e-01 1.A109 C = 175.374(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6666e-01 1.A109 CA = 51.640(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4871e-01 1.A109 CB = 23.114(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.4921e-02 1.A109 H = 8.699(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0560e-01 1.A109 N = 118.289(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.6279e-01 1.S110 CA = 57.712(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.2629e-01 1.S110 H = 10.298(S), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2543e-04 1.S110 N = 119.172(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.1131e-01 1.P111 C = 179.967(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.3133e-02 1.P111 CA = 65.505(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.5245e-01 1.P111 CB = 31.846(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.9730e-01 1.S112 C = 175.541(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.9233e-01 1.S112 CA = 61.515(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7694e-01 1.S112 CB = 62.751(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7846e-01 1.S112 H = 7.687(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.1486e-01 1.S112 N = 112.885(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3480e-01 1.T113 C = 176.461(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7506e-01 1.T113 CA = 66.041(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4013e-01 1.T113 H = 8.194(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4086e-01 1.T113 N = 121.022(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3825e-01 1.R114 C = 178.131(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.9656e-01 1.R114 CA = 61.448(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.2856e-02 1.R114 H = 8.281(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4641e-01 1.R114 N = 117.805(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.1573e-01 1.R115 C = 178.197(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.7870e-01 1.R115 CA = 59.037(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.2640e-01 1.R115 H = 7.760(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.3135e-01 1.R115 N = 119.112(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.4645e-01 1.L116 C = 179.214(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.6134e-01 1.L116 CA = 57.861(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9275e-01 1.L116 H = 8.071(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.0675e-01 1.L116 N = 119.874(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1059e-01 1.A117 C = 178.829(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0916e-01 1.A117 CA = 55.915(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6106e-01 1.A117 CB = 17.530(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1866e-01 1.A117 H = 8.596(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.0925e-01 1.A117 N = 120.607(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5872e-01 1.E118 C = 180.018(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0645e-01 1.E118 CA = 59.486(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0003e-01 1.E118 CB = 29.666(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.4148e-01 1.E118 H = 7.646(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4632e-01 1.E118 N = 118.045(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5066e-01 1.V119 C = 178.015(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.0748e-01 1.V119 CA = 66.040(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1451e-01 1.V119 CB = 31.787(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.9832e-01 1.V119 H = 8.052(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2242e-01 1.V119 N = 119.950(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9323e-01 1.E120 C = 176.551(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7005e-01 1.E120 CA = 56.628(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4057e-01 1.E120 CB = 30.163(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2912e-01 1.E120 H = 7.785(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5563e-01 1.E120 N = 117.765(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0385e-01 1.G121 C = 175.173(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8826e-01 1.G121 CA = 45.697(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9567e-01 1.G121 H = 7.798(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1309e-01 1.G121 N = 106.222(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7295e-01 1.N122 C = 174.180(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.4257e-01 1.N122 CA = 51.267(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.2665e-01 1.N122 CB = 40.046(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.2234e-01 1.N122 H = 8.251(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.8766e-01 1.N122 N = 119.820(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2521e-01 1.E123 C = 174.512(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.2657e-01 1.E123 CA = 57.805(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.1649e-01 1.E123 H = 8.152(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6288e-01 1.E123 N = 119.742(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8973e-01 1.I124 C = 176.053(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.1580e-01 1.I124 CA = 58.537(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.5153e-01 1.I124 H = 8.089(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7880e-01 1.I124 N = 115.740(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.8140e-01 1.P125 C = 175.261(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.2409e-01 1.P125 CA = 62.627(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.4372e-01 1.T126 C = 173.914(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2208e-01 1.T126 CA = 67.473(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2541e-02 1.T126 H = 8.519(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5271e-01 1.T126 N = 122.502(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3598e-01 1.H127 C = 175.114(D), Expected = 175.25, Std = 1.9700, ChiSquare = 9.4496e-01 1.H127 CA = 55.370(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.1860e-01 1.H127 CB = 32.942(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.9179e-01 1.H127 H = 8.836(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.8077e-01 1.H127 N = 118.480(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6227e-01 1.S128 C = 175.357(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.6830e-01 1.S128 CA = 57.523(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.6309e-01 1.S128 CB = 65.071(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9046e-01 1.S128 H = 8.660(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1953e-01 1.S128 N = 116.561(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3637e-01 1.L129 C = 175.586(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7827e-01 1.L129 CA = 53.748(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7947e-01 1.L129 CB = 44.071(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.4891e-01 1.L129 H = 7.973(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9256e-01 1.L129 N = 125.792(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1336e-01 1.E130 C = 176.495(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4750e-01 1.E130 CA = 56.005(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.2923e-01 1.E130 CB = 31.102(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.2550e-01 1.E130 H = 8.354(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6755e-01 1.E130 N = 122.517(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.9559e-01 1.G131 C = 174.084(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.0937e-01 1.G131 CA = 45.870(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9797e-01 1.G131 H = 8.277(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3501e-01 1.G131 N = 106.576(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.2401e-01 1.L132 C = 175.652(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.9919e-01 1.L132 CA = 53.280(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7195e-01 1.L132 CB = 42.983(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.2036e-01 1.L132 H = 8.135(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8380e-01 1.L132 N = 119.688(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7758e-01 1.S133 C = 174.467(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.2912e-01 1.S133 CA = 60.475(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9654e-01 1.S133 CB = 64.952(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.3635e-01 1.S133 H = 8.420(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1243e-01 1.S133 N = 114.507(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.1448e-01 1.S134 C = 173.416(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.8393e-01 1.S134 CA = 57.186(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.5866e-01 1.S134 CB = 64.929(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.4556e-01 1.S134 H = 9.003(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2042e-01 1.S134 N = 119.147(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.1537e-01 1.S135 C = 175.679(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.3809e-01 1.S135 CA = 59.668(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.4697e-01 1.S135 CB = 62.324(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.1862e-01 1.S135 H = 8.697(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7970e-01 1.S135 N = 120.105(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7719e-01 1.G136 C = 173.221(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.2993e-01 1.G136 CA = 44.731(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.4412e-01 1.G136 H = 8.921(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6323e-01 1.G136 N = 112.934(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9900e-01 1.D137 C = 173.783(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.3480e-01 1.D137 CA = 55.685(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.2403e-01 1.D137 CB = 42.232(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.0396e-01 1.D137 H = 8.080(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9170e-01 1.D137 N = 123.519(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.5732e-01 1.A138 C = 177.532(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2221e-01 1.A138 CA = 50.417(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6905e-01 1.A138 CB = 24.021(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1767e-03 1.A138 H = 7.994(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.3135e-01 1.A138 N = 120.651(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6629e-01 1.V139 C = 174.502(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.5625e-01 1.V139 CA = 60.193(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2189e-01 1.V139 CB = 36.683(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.7218e-02 1.V139 H = 9.094(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3014e-01 1.V139 N = 116.865(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4638e-01 1.R140 C = 175.519(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.6072e-01 1.R140 CA = 55.400(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.5313e-01 1.R140 CB = 30.083(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.3600e-01 1.R140 H = 8.803(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.5603e-01 1.R140 N = 125.086(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.4415e-01 1.F141 C = 173.579(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.5490e-01 1.F141 CA = 57.069(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.9403e-01 1.F141 H = 8.993(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.7931e-01 1.F141 N = 130.135(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0505e-02 1.G142 CA = 44.909(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4208e-01 1.G142 H = 8.456(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4630e-01 1.G142 N = 114.647(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.9843e-01 1.P143 C = 175.346(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.5247e-01 1.P143 CA = 63.414(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.5593e-01 1.P143 CB = 32.681(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.8129e-01 1.V144 C = 174.216(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5994e-01 1.V144 CA = 58.465(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5933e-01 1.V144 CB = 34.767(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.5513e-01 1.V144 H = 7.606(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0730e-01 1.V144 N = 110.507(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9177e-02 1.E145 C = 174.721(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.7044e-01 1.E145 CA = 55.584(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0619e-01 1.E145 H = 9.562(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.6786e-02 1.E145 N = 121.713(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6440e-01 1.L146 C = 174.730(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5370e-01 1.L146 CA = 53.193(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5452e-01 1.L146 H = 9.320(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3558e-02 1.L146 N = 124.787(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.5295e-01 1.F147 C = 174.175(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.3156e-01 1.F147 CA = 55.180(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.5915e-01 1.F147 CB = 43.290(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.1435e-01 1.F147 H = 9.035(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4850e-01 1.F147 N = 122.736(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.8445e-01 1.Y148 C = 172.854(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.0076e-01 1.Y148 CA = 51.770(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1281e-02 1.Y148 H = 8.541(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.6209e-01 1.Y148 N = 127.779(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.3929e-02 1.G150 C = 171.789(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.6833e-01 1.G150 CA = 43.692(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1597e-01 1.A151 C = 177.637(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6143e-01 1.A151 CA = 52.475(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3698e-01 1.A151 CB = 21.038(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6778e-01 1.A151 H = 8.001(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4014e-01 1.A151 N = 117.679(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.1686e-01 1.A152 C = 172.680(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7521e-02 1.A152 CA = 52.957(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2636e-01 1.A152 CB = 16.624(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.9229e-01 1.A152 H = 7.425(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.9647e-01 1.A152 N = 123.229(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9977e-01 1.H153 C = 172.168(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.1771e-01 1.H153 H = 6.279(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.9288e-03 1.H153 N = 124.382(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.4080e-01 1.S154 C = 176.471(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.8185e-01 1.S154 CA = 57.313(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9669e-01 1.S154 CB = 65.291(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.1373e-01 1.S154 H = 7.742(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6184e-01 1.S154 N = 107.282(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.0581e-02 1.T155 C = 173.925(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.2676e-01 1.T155 CA = 65.358(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2567e-01 1.T155 H = 9.648(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.3149e-02 1.T155 N = 114.766(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9049e-01 1.D156 C = 176.048(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.4059e-01 1.D156 CA = 53.099(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3319e-01 1.D156 H = 10.186(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.2186e-03 1.D156 N = 117.484(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1210e-01 1.N157 C = 175.366(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.5723e-01 1.N157 CA = 54.545(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.9294e-01 1.N157 H = 6.545(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.3828e-03 1.N157 N = 116.246(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0541e-01 1.L158 C = 177.912(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.4146e-01 1.L158 CA = 53.317(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7960e-01 1.L158 H = 8.943(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7268e-01 1.L158 N = 119.773(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9256e-01 1.V159 C = 173.778(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.3231e-01 1.V159 CA = 59.911(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.6719e-01 1.V159 H = 9.183(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8259e-01 1.V159 N = 113.756(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0386e-01 1.V160 C = 173.213(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.0521e-01 1.V160 CA = 60.954(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9122e-01 1.V160 H = 8.610(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3293e-01 1.V160 N = 119.669(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4593e-01 1.Y161 C = 174.709(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2841e-01 1.Y161 CA = 54.943(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.0418e-01 1.Y161 H = 9.666(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.5207e-02 1.Y161 N = 128.623(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.3695e-02 1.V162 C = 175.113(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.8959e-01 1.V162 CA = 58.716(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.8697e-01 1.V162 H = 8.679(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6151e-01 1.V162 N = 126.945(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0103e-01 1.P163 C = 176.324(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.7785e-01 1.P163 CA = 65.248(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.0701e-01 1.S164 C = 174.586(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8423e-01 1.S164 CA = 60.582(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6838e-01 1.S164 CB = 62.375(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.3563e-01 1.S164 H = 7.728(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.4948e-01 1.S164 N = 113.086(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6420e-01 1.A165 C = 175.469(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8633e-01 1.A165 CA = 50.785(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3428e-01 1.A165 CB = 21.910(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.1303e-01 1.A165 H = 6.630(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8793e-03 1.A165 N = 120.707(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7602e-01 1.S166 C = 174.124(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7306e-01 1.S166 CA = 58.589(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.4954e-01 1.S166 CB = 61.529(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2492e-01 1.S166 H = 7.634(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.7355e-01 1.S166 N = 112.043(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2871e-01 1.V167 C = 172.609(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1303e-01 1.V167 CA = 60.529(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9292e-01 1.V167 CB = 34.656(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.8194e-01 1.V167 H = 6.682(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.6395e-02 1.V167 N = 116.973(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5870e-01 1.L168 CA = 53.109(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3845e-01 1.L168 H = 9.425(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5995e-02 1.L168 N = 129.096(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3542e-02 1.Y169 C = 174.265(D), Expected = 175.40, Std = 1.9900, ChiSquare = 5.6844e-01 1.Y169 CA = 56.146(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.2927e-01 1.Y169 H = 10.088(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.5439e-02 1.Y169 N = 128.792(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8893e-02 1.G170 CA = 44.986(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8590e-01 1.G170 H = 8.684(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8602e-01 1.G170 N = 112.218(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1028e-01 1.A173 C = 174.185(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5115e-02 1.A173 CA = 53.060(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.6777e-01 1.A173 CB = 17.651(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5771e-01 1.A173 H = 6.600(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6608e-03 1.A173 N = 115.695(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.3293e-02 1.I174 CA = 58.809(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9595e-01 1.I174 H = 7.187(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0798e-01 1.I174 N = 113.518(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3510e-02 1.Y175 H = 9.037(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.2601e-01 1.Y175 N = 128.762(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.9718e-02 1.E176 C = 176.553(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7086e-01 1.L177 C = 177.977(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.1814e-01 1.L177 CA = 57.336(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2045e-01 1.L177 CB = 42.108(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1443e-01 1.L177 H = 8.386(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1033e-01 1.L177 N = 121.179(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6138e-01 1.S178 C = 174.642(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.8979e-01 1.S178 CA = 59.250(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.9792e-01 1.S178 CB = 63.267(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.1875e-01 1.S178 H = 8.491(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2062e-01 1.S178 N = 108.650(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.0188e-02 1.R179 C = 175.803(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.6493e-01 1.R179 CA = 56.450(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8982e-01 1.R179 H = 7.714(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8853e-01 1.R179 N = 124.676(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.9222e-01 1.T180 C = 173.851(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.9544e-01 1.T180 H = 8.332(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8204e-01 1.T180 N = 114.500(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4642e-01 1.S181 CA = 56.547(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.9383e-01 1.S181 CB = 65.349(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.9527e-01 1.S181 H = 7.524(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.0007e-01 1.S181 N = 115.626(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5261e-01 1.N184 C = 179.387(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.1448e-02 1.V185 C = 177.041(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5452e-01 1.V185 CA = 60.144(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1206e-01 1.V185 H = 8.493(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6190e-01 1.V185 N = 119.386(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9924e-01 1.A186 C = 178.639(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.7298e-01 1.A186 CA = 55.582(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1745e-01 1.A186 CB = 18.865(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.3685e-01 1.A186 H = 8.200(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.0000e+00 1.A186 N = 126.680(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2977e-01 1.D187 C = 174.908(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.9390e-01 1.D187 CA = 54.055(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5443e-01 1.D187 H = 8.017(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1344e-01 1.D187 N = 114.477(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0977e-01 1.A188 C = 177.404(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.7466e-01 1.A188 CA = 52.047(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.8093e-01 1.A188 H = 7.203(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6580e-02 1.A188 N = 122.426(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2033e-01 1.D189 C = 176.296(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.5261e-01 1.D189 CA = 52.213(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2239e-01 1.D189 H = 7.941(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2464e-01 1.D189 N = 118.909(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5196e-01 1.L190 C = 178.140(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.6137e-01 1.L190 CA = 58.369(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9684e-01 1.L190 CB = 41.270(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8013e-01 1.L190 H = 8.677(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9165e-01 1.L190 N = 122.620(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4549e-01 1.A191 C = 179.844(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.2325e-01 1.A191 CA = 54.277(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.6580e-01 1.A191 CB = 18.683(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5818e-01 1.A191 H = 7.933(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.5632e-01 1.A191 N = 118.805(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1130e-01 1.E192 C = 177.633(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.9559e-01 1.E192 CA = 54.212(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.3699e-01 1.E192 CB = 30.958(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.8152e-01 1.E192 H = 7.696(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8256e-01 1.E192 N = 117.970(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3783e-01 1.P194 C = 179.327(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7892e-02 1.P194 CA = 66.819(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.1711e-02 1.P194 CB = 31.282(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.3026e-01 1.T195 C = 176.657(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.2904e-01 1.T195 CA = 66.212(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2324e-01 1.T195 CB = 68.277(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.7271e-01 1.T195 H = 7.503(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.3455e-01 1.T195 N = 117.741(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2510e-01 1.S196 C = 176.643(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.3953e-01 1.S196 CA = 62.074(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0517e-01 1.S196 H = 8.940(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.6329e-01 1.S196 N = 122.422(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1005e-02 1.I197 C = 177.884(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.8943e-01 1.I197 CA = 64.740(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4284e-01 1.I197 CB = 35.808(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.6240e-01 1.I197 H = 8.319(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.5426e-01 1.I197 N = 120.517(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2562e-01 1.E198 C = 179.299(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.1290e-01 1.E198 CA = 59.867(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2297e-01 1.E198 CB = 29.047(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7556e-01 1.E198 H = 7.941(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0969e-01 1.E198 N = 122.144(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7188e-01 1.R199 C = 179.996(D), Expected = 176.41, Std = 2.0300, ChiSquare = 7.7312e-02 1.R199 CA = 60.760(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4119e-02 1.R199 H = 8.224(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.7907e-01 1.R199 N = 117.966(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4124e-01 1.I200 C = 176.874(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.9380e-01 1.I200 CA = 66.401(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.3827e-02 1.I200 H = 7.873(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4949e-01 1.I200 N = 119.063(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7545e-01 1.Q201 C = 177.760(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.5712e-01 1.Q201 CA = 59.110(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3526e-01 1.Q201 CB = 28.502(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0541e-01 1.Q201 H = 8.355(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.1901e-01 1.Q201 N = 119.106(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2760e-01 1.Q202 C = 177.455(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.5708e-01 1.Q202 CA = 57.617(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.2466e-01 1.Q202 CB = 28.684(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.8100e-01 1.Q202 H = 8.119(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.6408e-01 1.Q202 N = 113.819(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1721e-02 1.H203 C = 174.377(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.5766e-01 1.H203 CA = 57.635(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2932e-01 1.H203 CB = 29.377(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.7675e-01 1.H203 H = 7.591(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.3988e-01 1.H203 N = 117.052(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.0957e-01 1.Y204 C = 173.198(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.6850e-01 1.Y204 CA = 55.300(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.5954e-01 1.Y204 CB = 37.989(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.3776e-01 1.Y204 H = 7.550(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.9152e-01 1.Y204 N = 115.207(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.0587e-01 1.P205 C = 177.985(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.1343e-01 1.P205 CA = 64.653(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.8408e-01 1.P205 CB = 32.055(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6208e-01 1.E206 C = 176.141(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.0852e-01 1.E206 CA = 55.113(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9098e-01 1.E206 CB = 29.510(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7128e-01 1.E206 H = 8.397(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0959e-01 1.E206 N = 117.049(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9810e-01 1.A207 C = 176.641(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0588e-01 1.A207 CA = 53.781(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4614e-01 1.A207 CB = 19.268(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8788e-01 1.A207 H = 7.134(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5623e-02 1.A207 N = 122.025(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.3356e-01 1.Q208 C = 175.258(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.8955e-01 1.Q208 CA = 56.277(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9110e-01 1.Q208 CB = 31.121(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8869e-01 1.Q208 H = 8.728(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8923e-01 1.Q208 N = 120.485(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6873e-01 1.F209 C = 174.042(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.8865e-01 1.F209 CA = 56.708(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.9344e-01 1.F209 CB = 42.831(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7404e-01 1.F209 H = 7.634(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1329e-01 1.F209 N = 117.836(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3174e-01 1.V210 C = 174.128(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.3230e-01 1.V210 CA = 60.709(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3346e-01 1.V210 H = 9.187(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.8063e-01 1.V210 N = 125.307(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5870e-01 1.I211 CA = 56.374(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.0733e-02 1.I211 H = 9.147(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0231e-01 1.I211 N = 126.551(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3425e-01 1.G213 C = 171.820(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.7553e-01 1.G213 H = 7.423(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6290e-01 1.G213 N = 108.410(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4474e-01 1.H214 C = 173.992(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.2310e-01 1.H214 CA = 55.466(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.4819e-01 1.H214 H = 7.554(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.1306e-01 1.H214 N = 114.556(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.9932e-01 1.G215 C = 173.904(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8557e-01 1.G215 CA = 44.783(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7220e-01 1.G215 H = 9.142(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.1158e-01 1.G215 N = 111.919(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6115e-01 1.L216 CA = 53.670(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5993e-01 1.L216 H = 7.764(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7342e-01 1.L216 N = 119.060(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.7279e-01 1.P217 C = 176.207(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.1914e-01 1.P217 CA = 62.134(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.3137e-01 1.G218 C = 172.488(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6227e-01 1.G218 CA = 46.441(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.1554e-01 1.G218 H = 8.476(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2228e-01 1.G218 N = 109.011(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6479e-01 1.G219 C = 174.915(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.7831e-01 1.G219 CA = 44.085(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4515e-01 1.G219 H = 8.450(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5353e-01 1.G219 N = 114.824(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.8293e-01 1.L220 C = 179.274(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.4869e-01 1.L220 CA = 57.752(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1686e-01 1.L220 H = 8.818(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6567e-01 1.L220 N = 120.821(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8992e-01 1.D221 C = 178.506(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.2881e-01 1.D221 CA = 56.639(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.3701e-01 1.D221 CB = 38.595(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5839e-01 1.D221 H = 9.514(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.7907e-02 1.D221 N = 120.278(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2322e-01 1.L222 C = 180.419(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3306e-02 1.L222 CA = 59.661(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.7804e-02 1.L222 H = 8.340(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6562e-01 1.L222 N = 120.747(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.7535e-01 1.L223 C = 177.474(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.0689e-01 1.L223 CA = 60.404(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4703e-02 1.L223 H = 8.165(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2034e-01 1.L223 N = 122.730(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2348e-01 1.K224 C = 178.245(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.2226e-01 1.K224 CA = 59.006(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.5002e-01 1.K224 CB = 32.181(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.3225e-01 1.K224 H = 6.872(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.8044e-02 1.K224 N = 120.022(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.8510e-01 1.H225 C = 176.474(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.3439e-01 1.H225 CA = 59.895(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.4400e-01 1.H225 H = 8.172(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.2034e-01 1.H225 N = 117.661(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.1198e-01 1.T226 C = 175.057(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.6895e-01 1.T226 CA = 68.588(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.3945e-02 1.T226 H = 7.905(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.8897e-01 1.T226 N = 114.015(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6739e-01 1.T227 C = 174.809(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.7852e-01 1.T227 CA = 68.001(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5612e-02 1.T227 CB = 69.061(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.8149e-01 1.T227 H = 7.662(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.5120e-01 1.T227 N = 116.374(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4082e-01 1.N228 C = 178.208(D), Expected = 175.27, Std = 1.7900, ChiSquare = 1.0073e-01 1.N228 CA = 56.071(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7821e-01 1.N228 CB = 37.645(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.3635e-01 1.N228 H = 7.796(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.8787e-01 1.N228 N = 119.434(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0047e-01 1.V229 C = 178.806(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.3573e-02 1.V229 CA = 66.619(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4882e-01 1.V229 H = 7.925(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.8591e-01 1.V229 N = 121.100(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9297e-01 1.V230 C = 178.952(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9485e-02 1.V230 CA = 66.841(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2818e-01 1.V230 H = 8.069(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4151e-01 1.V230 N = 118.885(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.1940e-01 1.K231 C = 178.659(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.1274e-01 1.K231 CA = 59.675(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1548e-01 1.K231 H = 8.388(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4140e-01 1.K231 N = 119.516(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8408e-01 1.A232 C = 179.093(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.2529e-01 1.A232 CA = 53.864(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1462e-01 1.A232 CB = 18.271(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8634e-01 1.A232 H = 7.679(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8521e-01 1.A232 N = 120.598(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5718e-01 1.H233 C = 176.718(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.5616e-01 1.H233 CA = 59.132(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.5817e-01 1.H233 H = 7.772(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.9130e-01 1.H233 N = 118.373(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.4197e-01 1.T234 C = 174.615(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.6601e-01 1.T234 CA = 63.140(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.2243e-01 1.T234 CB = 69.583(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.2814e-01 1.T234 H = 7.736(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.1627e-01 1.T234 N = 112.339(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1658e-01 1.N235 C = 175.140(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.4210e-01 1.N235 CA = 53.596(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7624e-01 1.N235 CB = 38.789(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5329e-01 1.N235 H = 8.102(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.0560e-01 1.N235 N = 120.478(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.0089e-01 1.R236 C = 176.251(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.3757e-01 1.R236 CA = 56.427(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.8196e-01 1.R236 CB = 30.659(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8213e-01 1.R236 H = 7.985(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7592e-01 1.R236 N = 120.778(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9523e-01 1.S237 C = 174.306(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.5514e-01 1.S237 CA = 58.489(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1115e-01 1.S237 CB = 63.841(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7790e-01 1.S237 H = 8.271(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8783e-01 1.S237 N = 116.737(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9670e-01 1.V238 C = 175.873(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9407e-01 1.V238 CA = 62.307(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4898e-01 1.V238 CB = 32.902(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2345e-01 1.V238 H = 8.036(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.0461e-01 1.V238 N = 121.492(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3820e-01 1.V239 C = 175.126(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.9486e-01 1.V239 CA = 62.315(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5121e-01 1.V239 CB = 32.889(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2922e-01 1.V239 H = 8.147(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3099e-01 1.V239 N = 123.918(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4061e-01 1.E240 C = 180.863(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.0590e-02 1.E240 CA = 58.058(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2401e-01 1.E240 CB = 31.452(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0182e-01 1.E240 H = 7.946(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1515e-01 1.E240 N = 129.941(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7199e-03