Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.844670508000 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.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.12 M 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.04 S 0.01 C Shift Assignments>> C :: 178.996933557000 CA :: 55.221145339600 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 :: 8.236096863320 HA :: 4.339514340300 HB3 :: 1.597230522700 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 :: 126.145441724000 Ave N Shift Values>> N :: 121.86(3.9) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.19 K 0.19 C 0.17 R 0.07 H 0.06 W 0.04 E 0.02 V 0.02 C Shift Assignments>> C :: 178.560084365000 CA :: 56.447527044600 CB :: 33.370916019900 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 :: 8.152172468890 HA :: 4.328340297280 HB2 :: 1.653100583160 HB3 :: 1.653100583160 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.827746977000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.357086050000 CA :: 44.976514376500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.159763735260 HA2 :: 3.918126030800 HA3 :: 3.745971680060 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.227043253000 Ave N Shift Values>> N :: 109.67(3.87) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.21 C 0.2 K 0.15 E 0.07 H 0.03 R 0.03 W 0.01 C Shift Assignments>> C :: 177.119169429000 CA :: 55.354814259300 CB :: 34.480006117100 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 :: 8.759365449070 HA :: 4.522719042250 HB2 :: 1.619148893080 HB3 :: 1.652379690320 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 :: 120.288745866000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.18 K 0.02 C Shift Assignments>> C :: 175.726399976000 CA :: 55.073320022100 CB :: 32.336396617200 CG :: 27.336219189000 CD :: 43.985156415200 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 :: 8.170246635960 HA :: 5.135333164030 HB2 :: 1.765345201320 HB3 :: 1.762195129070 HG2 :: 1.512695979340 HG3 :: 1.674663249870 HD2 :: 3.130060228620 HD3 :: 3.056041642610 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.084037959000 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.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.16 C 0.04 C Shift Assignments>> C :: 173.146679971000 CA :: 54.521925952600 CB :: 45.853722008800 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 :: 8.528023123600 HA :: 4.636343791740 HB2 :: 1.642026106460 HB3 :: 1.642026106460 HG :: 1.445003877830 HD21 :: 0.769358095424 HD22 :: 0.769358095424 HD23 :: 0.769358095424 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 :: 122.913899029000 Ave N Shift Values>> N :: 121.86(3.9) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 D 0.24 L 0.14 C 0.14 N 0.13 I 0.03 K 0.01 C Shift Assignments>> C :: 172.364172565000 CA :: 56.008982834000 CB :: 39.763488444400 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 :: 8.541576797720 HA :: 4.993913241220 HB2 :: 2.749379865500 HB3 :: 2.508505705730 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.122864400000 Ave N Shift Values>> N :: 120.45(4.18) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.69 L 0.19 C 0.1 C Shift Assignments>> C :: 175.068484559000 CA :: 50.290517452600 CB :: 22.128631453000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 5.088037404650 HB1 :: 1.138838531820 HB2 :: 1.138838531820 HB3 :: 1.138838531820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.686023130000 CA :: 60.973575876600 CB :: 39.169276457400 CG1 :: 27.850033450200 CG2 :: 18.299779484700 CD1 :: 13.906612369700 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 :: 8.651375292390 HA :: 4.295418025660 HB :: 1.679014551070 HG12 :: 1.331340286360 HG13 :: 1.328654705830 HG21 :: 0.753051231373 HG22 :: 0.753051231373 HG23 :: 0.753051231373 HD11 :: 0.754659088948 HD12 :: 0.754659088948 HD13 :: 0.754659088948 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.440701742000 Ave N Shift Values>> N :: 121.46(4.28) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.29 C 0.18 R 0.12 C Shift Assignments>> C :: 179.214345400000 CA :: 54.124548857300 CB :: 44.509998575100 CD2 :: 25.812425632200 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 :: 8.754734502180 HA :: 5.174715540050 HB2 :: 0.922760678913 HB3 :: 1.764236552210 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.105517455000 Ave N Shift Values>> N :: 121.86(3.9) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.21 Q 0.2 K 0.13 E 0.06 H 0.03 R 0.02 N 0.02 W 0.01 C Shift Assignments>> C :: 176.329014982000 CA :: 54.025046182200 CB :: 34.510277532700 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 :: 7.593289043880 HA :: 4.912316773090 HB2 :: 1.668223748130 HB3 :: 1.608532992830 HG2 :: 1.538431885800 HG3 :: 1.538431885800 HD2 :: 3.053228826330 HD3 :: 3.219583572980 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 :: 119.947601460000 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.L13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.2 L 0.04 C Shift Assignments>> C :: 169.817758995000(S) CA :: 55.487477763300 CB :: 41.759962072700 CG :: 29.750933759600 CD1 :: 25.956979969100 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 :: 8.854733975950 HA :: 5.030290459510 HB2 :: 1.925172265010 HB3 :: 1.844683817150 HG :: 1.724703563190 HD11 :: 0.919749043249 HD12 :: 0.919749043249 HD13 :: 0.919749043249 HD21 :: 1.077067030760 HD22 :: 1.077067030760 HD23 :: 1.077067030760 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 :: 124.988326819000 Ave N Shift Values>> N :: 121.86(3.9) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.46 M 0.42 C 0.04 I 0.03 V 0.01 HN Overlap>> 1.V36 1.V36 C Shift Assignments>> C :: 181.547527033000 CA :: 55.371509890500 CB :: 18.909193872000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.739339755730 HA :: 4.092482999050 HB1 :: 1.531530071400 HB2 :: 1.531530071400 HB3 :: 1.531530071400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.735718790000 Ave N Shift Values>> N :: 123.23(3.54) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.33 L 0.14 F 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 179.627560263000 CA :: 53.315577881900 CB :: 40.146934454500 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 :: 7.850499509620 HA :: 4.560467998580 HB2 :: 3.116259656090 HB3 :: 2.616621979480 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 :: 114.275422072000 Ave N Shift Values>> N :: 120.65(3.86) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.692875369000 CA :: 45.311681151000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.211960312350 HA2 :: 4.377981306630 HA3 :: 3.596048515550 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.852898685000 Ave N Shift Values>> N :: 109.67(3.87) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.117861279000 CA :: 58.752454695600 CB :: 64.018243857800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.029938682000 HA :: 4.429278615810 HB2 :: 3.887658217200 HB3 :: 4.057629881120 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 :: 116.756332872000 Ave N Shift Values>> N :: 116.28(3.52) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 C 0.22 M 0.09 R 0.03 E 0.02 C Shift Assignments>> C :: 171.768540099000 CA :: 53.304992129200 CB :: 29.338938717800 CG :: 33.432668137300 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 :: 8.216969368300 HA :: 4.962965430900 HB2 :: 1.823775665830 HB3 :: 1.843870890150 HG2 :: 2.265645436280 HG3 :: 2.263792037570 HE21 :: 6.615340327480 HE22 :: 7.060679455620 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.558925859000 NE2 :: 110.133165665000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.18 T 0.13 C 0.13 V 0.13 S 0.09 F 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.540035696000 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) H Shift Assignments>> HA :: 3.647466145100 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.95 P 0.02 G 0.02 C Shift Assignments>> C :: 174.812858838000 CA :: 61.907752503100 CB :: 32.346197764700 CG :: 23.933867612200 CD :: 48.717806722900 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) H Shift Assignments>> HA :: 4.141829640390 HB2 :: 1.857611631300 HB3 :: 1.646336548460 HD2 :: 1.305691381070(S) HD3 :: 2.145591006550(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 180.947130758000 CA :: 59.359724258600 CB :: 39.637452211300 CD1 :: 132.252038319000 CD2 :: 132.252038319000 CE1 :: 132.294419148000 CE2 :: 132.294419148000 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 :: 7.988313558490 HA :: 3.921814948510 HB3 :: 2.909033554750 HD1 :: 7.039600685110 HD2 :: 7.039600685110 HE1 :: 7.342880817150 HE2 :: 7.342880817150 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.613523550000 Ave N Shift Values>> N :: 120.45(4.18) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.2 R 0.07 C 0.04 F 0.02 D 0.01 C Shift Assignments>> C :: 174.466439283000 CA :: 44.707224234700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.922720902730 HA2 :: 4.335862104010 HA3 :: 3.496072474860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.142312126000 Ave N Shift Values>> N :: 109.67(3.87) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 177.861927824000 CA :: 53.199211740100 CB :: 19.279929769900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.693619089100 HA :: 4.715077306430 HB1 :: 1.375674268740 HB2 :: 1.375674268740 HB3 :: 1.375674268740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.652779938000 Ave N Shift Values>> N :: 123.23(3.54) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.876230332000 CA :: 57.646849338400 CB :: 65.865787127900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.785059563760 HA :: 4.948253302950 HB2 :: 3.986940504540 HB3 :: 3.873845103120 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 :: 116.490445159000 Ave N Shift Values>> N :: 116.28(3.52) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 176.810101458000 CA :: 61.414527624500 CB :: 32.429333506400 CG1 :: 23.164012217700 CG2 :: 20.891391860400 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 :: 8.333885680220 HA :: 5.121848557230 HB :: 1.759070705140 HG11 :: 0.762475947102 HG12 :: 0.762475947102 HG13 :: 0.762475947102 HG21 :: 0.676012634735 HG22 :: 0.676012634735 HG23 :: 0.676012634735 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 :: 125.187324040000 Ave N Shift Values>> N :: 121.14(4.54) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.052463102000 CA :: 59.245682429600 CB :: 72.358210380600 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 :: 9.528634994810 HA :: 5.432713312020 HB :: 3.988038192300 HG21 :: 1.021504849380 HG22 :: 1.021504849380 HG23 :: 1.021504849380 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.988616586000 Ave N Shift Values>> N :: 115.42(4.75) 1.S27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 178.798398892000 CA :: 56.610681489800 CB :: 66.259624018000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.010303437920 HA :: 4.718356729250 HB2 :: 4.842769397540(S) HB3 :: 3.920799568760 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 :: 116.858329701000 Ave N Shift Values>> N :: 116.28(3.52) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.31 I 0.19 M 0.02 K 0.02 C Shift Assignments>> C :: 181.014007730000 CA :: 59.823858083700 CB :: 30.112748780900 CG :: 36.956137186700 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 :: 9.591062730860 HA :: 4.200857015750 HB2 :: 2.394942125540 HB3 :: 2.184649931620 HG2 :: 2.497786200290 HG3 :: 2.409222558120 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.935506116000 Ave N Shift Values>> N :: 120.67(3.48) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.07 E 0.05 V 0.01 C Shift Assignments>> C :: 179.269807017000 CA :: 55.495642008700 CB :: 32.387082049100 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 :: 7.724254284800 HA :: 4.575653524640 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.591570654000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.274879511000 CA :: 45.798179123700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.053620185930 HA2 :: 4.235414335150 HA3 :: 3.643333329190 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.212088959000 Ave N Shift Values>> N :: 109.67(3.87) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.07 C Shift Assignments>> C :: 177.102500603000 CA :: 55.393594527000 CB :: 31.429874451600 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 :: 7.431434337620 HA :: 4.377589628070 HB2 :: 1.779581268770 HB3 :: 1.669871258250 HG2 :: 1.598081855560 HG3 :: 1.494466396350 HD2 :: 3.157795797610 HD3 :: 3.157795797610 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 :: 120.001739904000 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.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.14 R 0.13 H 0.13 Q 0.11 K 0.07 M 0.05 I 0.02 V 0.01 C Shift Assignments>> C :: 177.796772622000 CA :: 57.943451946000 CB :: 30.164098412100 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 :: 8.902593379740 HA :: 4.419123327340 HB2 :: 2.088862963980 HB3 :: 2.107537336590 HG2 :: 2.332870429980 HG3 :: 2.079393053980 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.287433777000 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.26 C 0.13 A 0.09 C Shift Assignments>> C :: 178.729630354000 CA :: 55.200463252900 CB :: 43.992337093200 CD2 :: 22.349449564600 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 :: 9.132132078110 HA :: 4.683068650590 HB3 :: 1.403414947810 HD21 :: 0.810137817723 HD22 :: 0.810137817723 HD23 :: 0.810137817723 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 :: 126.450439761000 Ave N Shift Values>> N :: 121.86(3.9) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 179.914474032000 CA :: 45.413617290800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.585022583820 HA2 :: 4.066549493340 HA3 :: 4.473901317070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.967986945000 Ave N Shift Values>> N :: 109.67(3.87) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.28 M 0.23 C Shift Assignments>> C :: 174.672542041000 CA :: 53.727375424900 CB :: 37.170592150400 CG :: 31.752063587100 CE :: 17.382355306000 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.415673390210 HA :: 5.289783953040 HB2 :: 1.837871079320 HB3 :: 1.835626469460 HG2 :: 2.339298529850 HG3 :: 2.348131904770 HE1 :: 1.894377281710 HE2 :: 1.894377281710 HE3 :: 1.894377281710 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.478866232000 Ave N Shift Values>> N :: 120.09(3.57) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.A14 1.A14 C Shift Assignments>> C :: 175.016279721000 CA :: 63.107538892400 CB :: 31.824625079100 CG1 :: 21.979876593700 CG2 :: 23.427177972900 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 :: 8.795096624110 HA :: 3.840489889670 HB :: 1.957537859990 HG11 :: 0.668059287098 HG12 :: 0.668059287098 HG13 :: 0.668059287098 HG21 :: 0.683925964056 HG22 :: 0.683925964056 HG23 :: 0.683925964056 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 :: 123.740782336000 Ave N Shift Values>> N :: 121.14(4.54) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> C :: 176.259841448000 CA :: 50.515282192300 CB :: 18.657586969500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.079882745720 HA :: 4.205225377670 HB1 :: 1.493409258320 HB2 :: 1.493409258320 HB3 :: 1.493409258320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.185565460000 Ave N Shift Values>> N :: 123.23(3.54) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.2 D 0.2 R 0.13 F 0.09 C 0.05 N 0.02 C Shift Assignments>> C :: 178.323282450000 CA :: 55.276508490700 CB :: 42.196597638500 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 :: 7.999524316330 HA :: 4.790310462850 HB2 :: 2.720019363380 HB3 :: 2.776163558900 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 :: 119.919629599000 Ave N Shift Values>> N :: 120.65(3.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.27 I 0.24 K 0.03 L 0.01 C Shift Assignments>> C :: 177.648512724000 CA :: 57.498750298000 CB :: 27.789993975500 CG :: 37.243043673100 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 :: 8.832511248510 HA :: 3.856530107970 HB2 :: 2.082734343420 HB3 :: 2.208049072940 HG2 :: 2.201699980430 HG3 :: 2.203328923630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.453977776000 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 169.568378133000 CA :: 46.543905822900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.842195283950 HA2 :: 3.252928078450 HA3 :: 3.975881652930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.326762466000 Ave N Shift Values>> N :: 109.67(3.87) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.27 D 0.14 K 0.1 F 0.06 C 0.04 G 0.02 C Shift Assignments>> C :: 176.730598260000 CA :: 55.251694677100 CB :: 43.006158561200 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 :: 7.365046705200 HA :: 4.656766567790 HB3 :: 1.619412482170 HD21 :: 0.766381371483 HD22 :: 0.766381371483 HD23 :: 0.766381371483 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 :: 120.998265336000 Ave N Shift Values>> N :: 121.86(3.9) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 L 0.2 C 0.09 C Shift Assignments>> C :: 175.611467267000 CA :: 50.897741944900 CB :: 22.003854398900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.311601778200 HA :: 4.985118464790 HB1 :: 1.039529868150 HB2 :: 1.039529868150 HB3 :: 1.039529868150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.418702669000 Ave N Shift Values>> N :: 123.23(3.54) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.42 C 0.33 H 0.23 C Shift Assignments>> C :: 176.948907352000 CA :: 56.716201927900 CB :: 29.391671009800 CD1 :: 125.989553906000 CZ3 :: 121.407795544000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.309260820110 HA :: 5.045676720170 HB2 :: 3.180976892480 HB3 :: 3.001030048030 HD1 :: 6.742916556140 HE1 :: 9.753861050840 HE3 :: 7.285994782340 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.885002030000 NE1 :: 128.679621294000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 C 0.14 A 0.03 C Shift Assignments>> C :: 177.064044455000 CA :: 53.079773334700 CB :: 44.884590019700 CD1 :: 23.537369731900 CD2 :: 26.179733475000 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 :: 8.879612624010 HA :: 4.878121953670 HB2 :: 1.719686201680 HB3 :: 0.970758052796 HD11 :: 0.512009900753 HD12 :: 0.512009900753 HD13 :: 0.512009900753 HD21 :: 0.548281751077 HD22 :: 0.548281751077 HD23 :: 0.548281751077 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 :: 125.277216554000 Ave N Shift Values>> N :: 121.86(3.9) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.555268550000 CA :: 57.722280918700 CB :: 64.903638709900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.365874635680 HA :: 4.743091723510 HB2 :: 3.663945078490 HB3 :: 3.758318812400 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 :: 116.399768695000 Ave N Shift Values>> N :: 116.28(3.52) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.376047920000 CA :: 46.581536437000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.038780720140 HA2 :: 3.700693673960 HA3 :: 4.013146811090 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.934539962000 Ave N Shift Values>> N :: 109.67(3.87) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 175.581937648000 CA :: 61.997672754800 CB :: 33.545272863700 CG1 :: 23.172676365700 CG2 :: 23.173475708800 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 :: 8.164699237330 HA :: 3.973619568830 HB :: 1.847757908650 HG11 :: 0.783703964435 HG12 :: 0.783703964435 HG13 :: 0.783703964435 HG21 :: 0.794774896540 HG22 :: 0.794774896540 HG23 :: 0.794774896540 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 :: 119.256580068000 Ave N Shift Values>> N :: 121.14(4.54) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 169.017269747000 CA :: 60.054107218100 CB :: 70.283096191000 CG2 :: 20.956409962500 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 :: 9.522982800320 HA :: 4.688679002930 HB :: 3.939964175590 HG21 :: 1.203673358060 HG22 :: 1.203673358060 HG23 :: 1.203673358060 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 :: 125.619314339000 Ave N Shift Values>> N :: 115.42(4.75) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 178.701810148000 CA :: 64.523962587900 CB :: 32.199355756200 CG :: 28.789171766000 CD :: 51.487229401200 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) H Shift Assignments>> HA :: 3.875240636040 HB3 :: 2.488448475880 HG2 :: 1.715096591800 HG3 :: 2.224266647970 HD2 :: 4.020856890000 HD3 :: 3.743358712010 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.031406150000 CA :: 45.718136563100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.278063621670 HA2 :: 4.326489765510 HA3 :: 3.779058606830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.062142838000 Ave N Shift Values>> N :: 109.67(3.87) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.16 C 0.15 R 0.13 H 0.11 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 173.640618586000 CA :: 56.369518093000 CB :: 32.179565625400 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 :: 7.691540410480 HA :: 4.543114691720 HB2 :: 1.941361416160 HB3 :: 1.851589725840 HG2 :: 2.464152375770 HG3 :: 2.564212593310 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.992563609000 Ave N Shift Values>> N :: 120.67(3.48) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.604854905000 CA :: 62.344203570400 CB :: 70.187915573300 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 :: 8.622741182920 HA :: 5.077843435700 HB :: 3.923318632810 HG21 :: 1.089542548240 HG22 :: 1.089542548240 HG23 :: 1.089542548240 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.131186747000 Ave N Shift Values>> N :: 115.42(4.75) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.17 C 0.15 R 0.05 A 0.02 C Shift Assignments>> C :: 179.276502907000 CA :: 52.726108162800 CB :: 43.529621947800 CG :: 26.780501507800 CD1 :: 23.911055451100 CD2 :: 25.814492236100 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 :: 9.372016620600 HA :: 4.983133394160 HB2 :: 1.543317145620 HB3 :: 1.315602194040 HG :: 1.553000998240 HD11 :: 0.474688718336 HD12 :: 0.474688718336 HD13 :: 0.474688718336 HD21 :: 0.707497781417 HD22 :: 0.707497781417 HD23 :: 0.707497781417 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 :: 126.542465684000 Ave N Shift Values>> N :: 121.86(3.9) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 169.461525814000 CA :: 58.467115529800 CB :: 65.500027824000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.946154916360 HA :: 5.012559778050 HB2 :: 3.774362026590 HB3 :: 3.773297953800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.060820889000 Ave N Shift Values>> N :: 116.28(3.52) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.715447690000 CA :: 62.223567449200 CB :: 32.427310501000 CG1 :: 22.188433341600 CG2 :: 23.280763930900 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 :: 8.655448397160 HA :: 5.087131922510 HB :: 2.383443779640 HG11 :: 1.047586114560 HG12 :: 1.047586114560 HG13 :: 1.047586114560 HG21 :: 0.859699544008 HG22 :: 0.859699544008 HG23 :: 0.859699544008 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.180246973000 Ave N Shift Values>> N :: 121.14(4.54) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.28 R 0.13 K 0.09 N 0.05 C 0.04 F 0.04 G 0.02 C Shift Assignments>> C :: 177.166699110000 CA :: 52.814825392900 CB :: 42.538430201600 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.281997232750 HA :: 5.514840388880 HB2 :: 2.438685902610 HB3 :: 2.732980176970 HD21 :: 6.768446268540 HD22 :: 6.366348104770 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 :: 126.618218983000 ND2 :: 113.631278973000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 C Shift Assignments>> C :: 176.389283524000 CA :: 59.555704341100 CB :: 30.461884170000 CD1 :: 128.937864008000 CZ2 :: 115.981605735000 CZ3 :: 121.391011931000 CH2 :: 124.172761576000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.247753479290 HA :: 4.966166188990 HB2 :: 3.719134308530 HB3 :: 3.324856116570 HE1 :: 10.215090600400 HE3 :: 7.292901753850 HZ2 :: 7.406763550600 HH2 :: 6.979384110440 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 :: 118.829630894000 NE1 :: 131.788317895000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 F 0.21 C 0.09 K 0.09 N 0.07 I 0.01 C Shift Assignments>> C :: 177.332205558000 CA :: 55.860219447000 CB :: 40.676340054000 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 :: 9.436869460260 HA :: 4.427115792600 HB2 :: 2.559222703910 HB3 :: 3.022871740910 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 :: 120.167877615000 Ave N Shift Values>> N :: 120.65(3.86) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.370676111000 CA :: 46.205108043900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449506878870 HA2 :: 4.029412659240 HA3 :: 3.663581142080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.960287710000 Ave N Shift Values>> N :: 109.67(3.87) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.31 A 0.03 G 0.01 C Shift Assignments>> C :: 174.528607850000 CA :: 54.850257018900 CB :: 36.068161727300 CG :: 23.677271737400 CE :: 42.076361409900 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 :: 7.376308695410 HA :: 4.628734671490 HB2 :: 1.635198577970 HB3 :: 1.489256820440 HG2 :: 1.186821047800 HG3 :: 0.989327572888 HE2 :: 2.844772940360 HE3 :: 2.844772940360 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.097779298000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 178.351462531000 CA :: 63.065782485200 CB :: 38.072721179100 CG1 :: 28.315500475000 CG2 :: 17.353813407400 CD1 :: 13.789143050500 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 :: 8.021972887620 HA :: 3.882431280460 HB :: 1.625658858390 HG12 :: 1.015114636320 HG13 :: 1.027741740900 HG21 :: 0.723016412465 HG22 :: 0.723016412465 HG23 :: 0.723016412465 HD11 :: 0.841024752914 HD12 :: 0.841024752914 HD13 :: 0.841024752914 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 :: 120.459683523000 Ave N Shift Values>> N :: 121.46(4.28) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 C 0.35 K 0.22 M 0.04 Q 0.01 C Shift Assignments>> C :: 178.632098626000 CA :: 56.815964099000 CB :: 28.187282460100 CG :: 30.563627426300 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 :: 8.503621769750 HA :: 4.035837549790 HB2 :: 1.159962743610(S) HB3 :: 0.503909827017(S) HG2 :: 0.218937397775(S) HG3 :: 1.788848489170 HE21 :: 6.635196499740 HE22 :: 6.035924670420 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 :: 127.676810993000 NE2 :: 108.473773965000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.21 C 0.04 R 0.03 D 0.01 F 0.01 C Shift Assignments>> C :: 180.126285910000 CA :: 55.149470995400 CB :: 45.220415446700 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.828825331220 HA :: 4.707933000940 HB2 :: 2.957230934250 HB3 :: 3.393975144340 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 :: 111.811059357000 Ave N Shift Values>> N :: 120.17(4.64) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.39 E 0.06 Q 0.04 C Shift Assignments>> C :: 174.204063873000 CA :: 54.548471661800 CB :: 33.601255888000 CG :: 34.914878861400 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 :: 8.894271718200 HA :: 5.474464650030 HB2 :: 1.940895125640 HB3 :: 1.903186004200 HG2 :: 2.307703679150 HG3 :: 2.102741534520 HE21 :: 6.698031060350 HE22 :: 7.170778696330 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.834999225000 NE2 :: 111.612212775000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.19 C Shift Assignments>> C :: 173.196040712000 CA :: 59.411479939600 CB :: 35.992910956500 CG2 :: 21.786782884900 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 :: 8.782248546990 HA :: 4.702113767860 HB :: 1.799364840610 HG21 :: 0.725114204259 HG22 :: 0.725114204259 HG23 :: 0.725114204259 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 :: 117.910142336000 Ave N Shift Values>> N :: 121.14(4.54) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.31 L 0.1 C 0.06 F 0.06 C Shift Assignments>> C :: 173.358043416000 CA :: 52.638001768800 CB :: 39.912529760200 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.033162377220 HA :: 5.120906111310 HB2 :: 2.649608706900 HB3 :: 2.564777957310 HD21 :: 7.226226631160 HD22 :: 6.676480857880 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 :: 125.297138720000 ND2 :: 111.828084737000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.45 M 0.01 C Shift Assignments>> C :: 174.911924329000 CA :: 61.405806893400 CB :: 32.757683798300 CG1 :: 20.040708800900 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 :: 8.707703760380 HA :: 3.910360507420 HB :: 2.213223128160 HG11 :: 0.998110413315 HG12 :: 0.998110413315 HG13 :: 0.998110413315 HG21 :: 1.028690456000 HG22 :: 1.028690456000 HG23 :: 1.028690456000 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 :: 126.921400044000 Ave N Shift Values>> N :: 121.14(4.54) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.46 P 0.34 C 0.14 W 0.01 C Shift Assignments>> C :: 180.015028735000 CA :: 63.439310996000 CB :: 32.835961671100 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.14 H 0.1 R 0.1 Q 0.1 K 0.09 I 0.05 M 0.03 V 0.02 C Shift Assignments>> C :: 177.975421331000 CA :: 58.888390022200 CB :: 29.737134335500 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 :: 8.973278748990 HA :: 3.874748620740 HB2 :: 2.031126075390 HB3 :: 2.051419831590 HG2 :: 2.251987290410 HG3 :: 2.251987290410 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 :: 121.228789675000 Ave N Shift Values>> N :: 120.67(3.48) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.421925482000 CA :: 60.824040781100 CB :: 69.387742967900 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 :: 7.197774323940 HA :: 4.249610102950 HB :: 4.452854489790 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 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 :: 107.142708745000 Ave N Shift Values>> N :: 115.42(4.75) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 C Shift Assignments>> C :: 178.489379396000 CA :: 53.218113764100 CB :: 19.186933289000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.451215869450 HA :: 4.305419340750 HB1 :: 1.233521098510 HB2 :: 1.233521098510 HB3 :: 1.233521098510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.047400423000 Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 176.610809198000 CA :: 60.671131345200 CB :: 40.129099404000 CG1 :: 27.550593224800 CD1 :: 13.233075587100 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 :: 7.960575140280 HA :: 4.290059732040 HB :: 1.889003318990 HG12 :: 1.190006445760 HG13 :: 1.476718202200 HD11 :: 0.860108749534 HD12 :: 0.860108749534 HD13 :: 0.860108749534 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.957396817000 Ave N Shift Values>> N :: 121.46(4.28) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.380300717000 CA :: 59.670497030300 CB :: 64.273186758200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.239427276120 HA :: 4.542712899680 HB2 :: 3.927185628150 HB3 :: 3.925737456150 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 :: 118.037326821000 Ave N Shift Values>> N :: 116.28(3.52) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 D 0.26 L 0.17 C 0.12 N 0.11 I 0.03 K 0.02 C Shift Assignments>> C :: 175.235487374000 CA :: 55.993970339700 CB :: 40.066592502600 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 :: 8.761142963580 HA :: 4.438804996540 HB2 :: 2.889527547670 HB3 :: 2.887022736140 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 :: 119.010350855000 Ave N Shift Values>> N :: 120.65(3.86) 1.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 M 0.23 E 0.13 K 0.1 C Shift Assignments>> C :: 174.899916557000 CA :: 56.136734689400 CB :: 30.737297352500 CG :: 34.259152121600 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.769831565720 HA :: 4.406063334600 HB2 :: 2.064952134580 HB3 :: 2.062695463730 HG2 :: 2.353829840810 HG3 :: 2.357183430760 HE21 :: 6.726011449750 HE22 :: 7.405691709310 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.334192643000 NE2 :: 111.346276351000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.12 E 0.09 R 0.01 C Shift Assignments>> C :: 176.120127577000 CA :: 55.519352334600 CB :: 29.892168803600 CG :: 34.040896113700 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 :: 8.284171408090 HA :: 4.912995433030 HB2 :: 1.894746077560 HB3 :: 1.894824605410 HG2 :: 2.018058560960 HG3 :: 2.016379620810 HE21 :: 6.607527284440 HE22 :: 6.748847622810 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.545614930000 NE2 :: 110.479010793000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 C 0.03 R 0.01 D 0.01 C Shift Assignments>> C :: 173.993343877000 CA :: 54.185554347500 CB :: 45.383102223300 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 :: 8.398824337570 HA :: 4.653552994190 HB2 :: 1.526170035130 HB3 :: 1.529836585670 HG :: 0.916082797444 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 :: 126.023881058000 Ave N Shift Values>> N :: 121.86(3.9) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.18 K 0.15 F 0.07 C 0.04 N 0.01 G 0.01 C Shift Assignments>> C :: 177.566070760000 CA :: 54.993727878200 CB :: 42.564002656200 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 :: 8.264874636530 HA :: 5.014838519730 HB2 :: 1.718774124810 HB3 :: 1.466474096530 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 :: 126.828998603000 Ave N Shift Values>> N :: 121.86(3.9) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 C 0.01 C Shift Assignments>> C :: 171.565490028000 CA :: 50.988126120600 CB :: 44.956087421500 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 :: 8.949450851350 HA :: 5.111025850260 HB2 :: 1.521553048320 HB3 :: 1.530853838020 HG :: 1.307826358680 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.493850355000 Ave N Shift Values>> N :: 121.86(3.9) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 176.869893672000 CA :: 61.808096525600 CB :: 32.286081891200 CG :: 27.450968203000 CD :: 51.261326525300 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) H Shift Assignments>> HA :: 4.885158057720 HB2 :: 1.846623964190 HB3 :: 2.209944777240 HG2 :: 1.992088853230 HG3 :: 2.206119757240 HD2 :: 3.819223266590 HD3 :: 3.841477691740 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.21 L 0.13 C Shift Assignments>> C :: 175.498819920000 CA :: 55.997566478200 CB :: 47.530739781500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.726605614470 HA :: 5.124991624010 HB2 :: 3.296417650910 HB3 :: 2.655759276620 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 :: 126.031277923000 Ave N Shift Values>> N :: 120.17(4.64) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 170.781761993000 CA :: 60.081075885900 CB :: 70.059670722600 CG2 :: 21.800487217700 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 :: 9.383977129190 HA :: 4.939750198500 HB :: 4.330228387090 HG21 :: 1.292270065260 HG22 :: 1.292270065260 HG23 :: 1.292270065260 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 :: 122.367449605000 Ave N Shift Values>> N :: 115.42(4.75) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.43 V 0.39 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 177.940971544000 CA :: 63.622645273300 CB :: 32.150651095400 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.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.13 E 0.13 W 0.13 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 176.702348164000 CA :: 56.248657409400 CB :: 29.925187612600 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 :: 8.407757115460 HA :: 4.215099080190 HB2 :: 1.796407904230 HB3 :: 1.954416159510 HG2 :: 2.210541384970 HG3 :: 2.219831160160 HE21 :: 7.187643214610 HE22 :: 6.617086863000 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.169394287000 NE2 :: 111.079413014000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 Q 0.19 K 0.19 C 0.17 R 0.07 H 0.06 W 0.04 E 0.02 V 0.02 C Shift Assignments>> C :: 177.796733369000 CA :: 56.503149404400 CB :: 33.373204241100 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 :: 8.256484670600 HA :: 4.255217995470 HB2 :: 1.682024442490 HB3 :: 1.738003456900 HG2 :: 1.352696168740 HG3 :: 1.352696168740 HE2 :: 2.928550311370 HE3 :: 2.928550311370 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.482490449000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.017120204000 CA :: 58.332330439500 CB :: 64.087621138700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.175649761260 HA :: 4.328330285890 HB2 :: 3.705642923830 HB3 :: 3.695791788480 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.378753701000 Ave N Shift Values>> N :: 116.28(3.52) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 177.287119818000 CA :: 52.647002692900 CB :: 19.636379549800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.965098545100 HA :: 4.255668342720 HB1 :: 1.238941079140 HB2 :: 1.238941079140 HB3 :: 1.238941079140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.112286886000 Ave N Shift Values>> N :: 123.23(3.54) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.14 R 0.13 H 0.11 Q 0.08 K 0.05 M 0.04 V 0.03 I 0.02 C Shift Assignments>> C :: 172.499331906000 CA :: 58.727183171200 CB :: 30.436931012400 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 :: 7.463312098260 HA :: 4.483801025530 HB2 :: 3.150709451900 HB3 :: 3.334305885200 HE1 :: 10.043188525000 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.713664104000 NE1 :: 129.317757293000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S89 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.P91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 91 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 87 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 307 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 490 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 91 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L13 C = 169.817758995000(S), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9195e-04 1.P20 HD2 = 1.305691381070(S), Expected = 3.65, Std = 0.3500, ChiSquare = 2.1126e-11 1.P20 HD3 = 2.145591006550(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.7341e-04 1.S27 HB2 = 4.842769397540(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.1760e-04 1.Q62 HB2 = 1.159962743610(S), Expected = 2.05, Std = 0.2500, ChiSquare = 3.7064e-04 1.Q62 HB3 = 0.503909827017(S), Expected = 2.02, Std = 0.2800, ChiSquare = 6.1423e-08 1.Q62 HG2 = 0.218937397775(S), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1549e-15