Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.9134687 CA :: 52.76886478 CB :: 19.28236299 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.343674975 HB1 :: 1.393159302 HB2 :: 1.393159302 HB3 :: 1.393159302 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.78 E 0.21 C Shift Assignments>> C :: 176.1752391 CA :: 55.94640036 CB :: 29.37462337 CG :: 33.81018823 CD :: 180.6492462 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 :: 8.594909459 HA :: 4.379969784 HB2 :: 2.005922123 HB3 :: 2.131599182 HG2 :: 2.385437392 HG3 :: 2.385437392 HE21 :: 6.884030819 HE22 :: 7.557099342 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 :: 119.9025236 NE2 :: 112.6962865 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S67 1.S67 C Shift Assignments>> C :: 175.0431137 CA :: 58.48445892 CB :: 64.0660684 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.445695802 HA :: 4.467595267 HB2 :: 3.863089525 HB3 :: 3.904090392 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 :: 117.5014132 Ave N Shift Values>> N :: 116.28(3.52) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.7218829 CA :: 45.49793041 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.578083792 HA2 :: 4.008216122 HA3 :: 4.008216122 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3209931 Ave N Shift Values>> N :: 109.67(3.87) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.12 R 0.02 HN Overlap>> 1.G74 1.G74 C Shift Assignments>> C :: 174.1533813 CA :: 45.17328835 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.317587744 HA2 :: 3.955627464 HA3 :: 3.955627464 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9056168 Ave N Shift Values>> N :: 109.67(3.87) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.16 Q 0.09 K 0.09 I 0.03 C Shift Assignments>> C :: 176.2192083 CA :: 56.47400213 CB :: 30.28591363 CG :: 36.21077025 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 :: 8.403613585 HA :: 4.253021551 HB2 :: 1.915363244 HB3 :: 2.026392688 HG2 :: 2.255642618 HG3 :: 2.255642618 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 :: 120.6931108 Ave N Shift Values>> N :: 120.67(3.48) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 177.4104481 CA :: 52.49303915 CB :: 19.08803014 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.381440073 HA :: 4.292446852 HB1 :: 1.349611471 HB2 :: 1.349611471 HB3 :: 1.349611471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4540696 Ave N Shift Values>> N :: 123.23(3.54) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.17 K 0.03 L 0.01 C Shift Assignments>> C :: 174.2066368 CA :: 53.7291069 CB :: 30.1684831 CG :: 26.90317726 CD :: 43.50509644 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 :: 8.344471976 HA :: 4.621626377 HB2 :: 1.704820514 HB3 :: 1.832937956 HG2 :: 1.657844067 HG3 :: 1.657844067 HD2 :: 3.208064795 HD3 :: 3.208064795 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 :: 122.6427334 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.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.1447567 CA :: 63.26009815 CB :: 32.30203721 CG :: 27.1912899 CD :: 50.67571259 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 :: 4.450311664 HB2 :: 1.951079687 HB3 :: 2.293111879 HG2 :: 2.010816574 HG3 :: 2.026676655 HD2 :: 3.635771036 HD3 :: 3.771304131 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) N Shift Assignments>> N :: 137.2664584 Ave N Shift Values>> N :: 134.16(6.62) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.26 R 0.14 D 0.02 Y 0.01 HN Overlap>> 1.G65 1.G65 C Shift Assignments>> C :: 171.80278 CA :: 44.47084492 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.355881154 HA2 :: 4.01070118 HA3 :: 4.179365635 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4508533 Ave N Shift Values>> N :: 109.67(3.87) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.286547 CA :: 63.11336354 CB :: 32.2491834 CG :: 27.1782006 CD :: 49.86445706 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 :: 4.428695073 HB2 :: 1.915329209 HB3 :: 2.283193714 HG2 :: 2.005313546 HG3 :: 2.005313546 HD2 :: 3.62104826 HD3 :: 3.62104826 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) N Shift Assignments>> N :: 134.4880000 Ave N Shift Values>> N :: 134.16(6.62) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> C :: 176.9093137 CA :: 56.44768708 CB :: 32.95801552 CG :: 24.89599779 CD :: 29.06720754 CE :: 42.23051538 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 :: 8.547344093 HA :: 4.363468308 HB2 :: 1.766116021 HB3 :: 1.85406516 HG2 :: 1.432641725 HG3 :: 1.492611984 HD2 :: 1.682898391 HD3 :: 1.682898391 HE2 :: 2.996439194 HE3 :: 2.996439194 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.488525 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1268116 CA :: 61.67480503 CB :: 70.02606178 CG2 :: 21.68785925 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 :: 8.093727559 HA :: 4.291141742 HB :: 4.199216559 HG21 :: 1.2005662 HG22 :: 1.2005662 HG23 :: 1.2005662 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 :: 115.3488721 Ave N Shift Values>> N :: 115.42(4.75) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.7051906 CA :: 52.6303252 CB :: 19.2368164 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.383161095 HA :: 4.328349678 HB1 :: 1.375880165 HB2 :: 1.375880165 HB3 :: 1.375880165 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5810569 Ave N Shift Values>> N :: 123.23(3.54) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 176.1068585 CA :: 62.54648668 CB :: 32.67114694 CG1 :: 20.76802444 CG2 :: 20.96994209 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 :: 8.102895392 HA :: 4.031388577 HB :: 2.021555397 HG11 :: 0.9385560751 HG12 :: 0.9385560751 HG13 :: 0.9385560751 HG21 :: 0.9179341197 HG22 :: 0.9179341197 HG23 :: 0.9179341197 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 :: 119.7234681 Ave N Shift Values>> N :: 121.14(4.54) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.78 E 0.21 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 175.8392347 CA :: 55.82678697 CB :: 29.61625904 CG :: 33.88734055 CD :: 180.4984436 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 :: 8.411194176 HA :: 4.330211155 HB2 :: 1.974522653 HB3 :: 2.027188775 HG2 :: 2.33402586 HG3 :: 2.33402586 HE21 :: 6.890326023 HE22 :: 7.550816536 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 :: 124.3857675 NE2 :: 112.6301371 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0260744 CA :: 61.32587287 CB :: 38.64566486 CG1 :: 27.3853684 CG2 :: 17.42632439 CD1 :: 12.68090534 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 :: 8.265618716 HA :: 4.104849244 HB :: 1.824487094 HG12 :: 1.166752913 HG13 :: 1.463417005 HG21 :: 0.8748472777 HG22 :: 0.8748472777 HG23 :: 0.8748472777 HD11 :: 0.8430036306 HD12 :: 0.8430036306 HD13 :: 0.8430036306 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 :: 123.2683026 Ave N Shift Values>> N :: 121.46(4.28) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.1 K 0.1 C Shift Assignments>> C :: 176.0187758 CA :: 56.13178489 CB :: 30.890952 CG :: 27.17960769 CD :: 43.35148956 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 :: 8.404268563 HA :: 4.369934081 HB2 :: 1.743330194 HB3 :: 1.81178349 HG2 :: 1.55305041 HG3 :: 1.623911637 HD2 :: 3.177 HD3 :: 3.177 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 :: 125.5959933 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.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.797571 CA :: 62.35398484 CB :: 32.85162394 CG1 :: 20.59906441 CG2 :: 21.15622584 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 :: 8.218522191 HA :: 4.064386876 HB :: 2.039534808 HG11 :: 0.9207571745 HG12 :: 0.9207571745 HG13 :: 0.9207571745 HG21 :: 0.928768754 HG22 :: 0.928768754 HG23 :: 0.928768754 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 :: 122.3221109 Ave N Shift Values>> N :: 121.14(4.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 177.5112172 CA :: 52.52939601 CB :: 19.23816712 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.360676816 HA :: 4.325378472 HB1 :: 1.357124968 HB2 :: 1.357124968 HB3 :: 1.357124968 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.8069596 Ave N Shift Values>> N :: 123.23(3.54) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.2435779 CA :: 61.26348332 CB :: 38.78238148 CG1 :: 27.30766296 CG2 :: 17.59457016 CD1 :: 12.94486141 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 :: 8.139194395 HA :: 4.110000000 HB :: 1.836000000 HG12 :: 1.172976494 HG13 :: 1.462153673 HG21 :: 0.8900858164 HG22 :: 0.8900858164 HG23 :: 0.8900858164 HD11 :: 0.8448451161 HD12 :: 0.8448451161 HD13 :: 0.8448451161 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 :: 120.615941 Ave N Shift Values>> N :: 121.46(4.28) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.81 E 0.18 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 175.8108232 CA :: 55.91026291 CB :: 29.48569814 CG :: 33.71963501 CD :: 180.552536 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 :: 8.439343157 HA :: 4.326044321 HB2 :: 1.972729206 HB3 :: 2.070734739 HG2 :: 2.340745687 HG3 :: 2.340745687 HE21 :: 6.872227669 HE22 :: 7.592283726 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 :: 124.4311875 NE2 :: 112.6734797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.16 Q 0.09 K 0.09 I 0.03 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 176.1173782 CA :: 56.6382459 CB :: 30.33598618 CG :: 36.24211452 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 :: 8.513283203 HA :: 4.245989154 HB2 :: 1.915228504 HB3 :: 2.048449307 HG2 :: 2.245816886 HG3 :: 2.279041052 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 :: 122.9691206 Ave N Shift Values>> N :: 120.67(3.48) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.5817808 CA :: 52.58277839 CB :: 19.49095614 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.332321645 HA :: 4.294576922 HB1 :: 1.382075303 HB2 :: 1.382075303 HB3 :: 1.382075303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.846116 Ave N Shift Values>> N :: 123.23(3.54) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.18 Q 0.09 K 0.07 I 0.03 C Shift Assignments>> C :: 176.1507714 CA :: 56.52830027 CB :: 30.4730737 CG :: 36.21787668 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 :: 8.401161678 HA :: 4.256413562 HB2 :: 1.905533369 HB3 :: 2.026545553 HG2 :: 2.230923878 HG3 :: 2.274360766 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 :: 120.1276301 Ave N Shift Values>> N :: 120.67(3.48) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.26 N 0.13 K 0.11 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.0707855 CA :: 54.23333094 CB :: 41.11299174 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 :: 8.401645373 HA :: 4.627453656 HB2 :: 2.576964196 HB3 :: 2.70784614 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7251786 Ave N Shift Values>> N :: 120.65(3.86) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 175.8382358 CA :: 62.16026191 CB :: 32.93133128 CG1 :: 20.14625931 CG2 :: 21.15882874 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 :: 8.070292872 HA :: 4.126517057 HB :: 2.096476197 HG11 :: 0.9013957977 HG12 :: 0.9013957977 HG13 :: 0.9013957977 HG21 :: 0.9013957977 HG22 :: 0.9013957977 HG23 :: 0.9013957977 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 :: 119.7963622 Ave N Shift Values>> N :: 121.14(4.54) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.27 K 0.15 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.134613 CA :: 54.51839377 CB :: 41.33034777 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 :: 8.416159149 HA :: 4.610248089 HB2 :: 2.566787958 HB3 :: 2.686342239 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.1861582 Ave N Shift Values>> N :: 120.65(3.86) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.17 Q 0.09 K 0.08 I 0.03 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 176.2591782 CA :: 56.46463438 CB :: 30.36587293 CG :: 36.19483298 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 :: 8.342376698 HA :: 4.264647855 HB2 :: 1.907279067 HB3 :: 2.039317396 HG2 :: 2.220664263 HG3 :: 2.263248742 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 :: 121.5592146 Ave N Shift Values>> N :: 120.67(3.48) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.05 A 0.03 G 0.02 C Shift Assignments>> C :: 177.4087997 CA :: 55.13711582 CB :: 42.3503284 CG :: 26.94301128 CD1 :: 23.34041405 CD2 :: 24.97610664 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 :: 8.307637612 HA :: 4.328335404 HB2 :: 1.555155054 HB3 :: 1.650221976 HG :: 1.598376513 HD11 :: 0.8566101789 HD12 :: 0.8566101789 HD13 :: 0.8566101789 HD21 :: 0.915391922 HD22 :: 0.915391922 HD23 :: 0.915391922 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 :: 123.3968752 Ave N Shift Values>> N :: 121.86(3.9) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.18 Q 0.09 K 0.08 I 0.03 HN Overlap>> 1.E35 1.E35 1.A47 1.A47 C Shift Assignments>> C :: 176.1357869 CA :: 56.45191596 CB :: 30.44517143 CG :: 36.1970253 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 :: 8.411884838 HA :: 4.26994586 HB2 :: 1.916074395 HB3 :: 2.026975289 HG2 :: 2.234248877 HG3 :: 2.270524263 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 :: 122.1728359 Ave N Shift Values>> N :: 120.67(3.48) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.28 K 0.16 N 0.08 Y 0.08 R 0.03 HN Overlap>> 1.E82 1.E82 C Shift Assignments>> C :: 176.2818066 CA :: 54.51773268 CB :: 41.40259671 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 :: 8.402953429 HA :: 4.580784012 HB2 :: 2.636460043 HB3 :: 2.638094223 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.9618373 Ave N Shift Values>> N :: 120.65(3.86) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.18 Q 0.08 K 0.08 I 0.03 C Shift Assignments>> C :: 176.5937314 CA :: 56.70270257 CB :: 30.45850839 CG :: 36.22850292 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 :: 8.447347012 HA :: 4.263835117 HB2 :: 1.925741009 HB3 :: 2.047744656 HG2 :: 2.234836509 HG3 :: 2.280496843 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 :: 121.8546681 Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.14 K 0.1 Q 0.09 I 0.04 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 176.7076584 CA :: 56.66230108 CB :: 30.23317909 CG :: 36.20243073 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 :: 8.492507548 HA :: 4.247874975 HB2 :: 1.953201354 HB3 :: 2.046987891 HG2 :: 2.235553026 HG3 :: 2.280204296 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 :: 122.1995299 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.13 K 0.1 Q 0.09 I 0.05 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 177.2407608 CA :: 57.13953204 CB :: 30.22252178 CG :: 36.2101189 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 :: 8.508189204 HA :: 4.228039597 HB2 :: 1.971602836 HB3 :: 2.03169961 HG2 :: 2.261836016 HG3 :: 2.288383538 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 :: 122.905929 Ave N Shift Values>> N :: 120.67(3.48) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.2951951 CA :: 45.49185939 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.578983019 HA2 :: 3.958973523 HA3 :: 3.958973523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.8280861 Ave N Shift Values>> N :: 109.67(3.87) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 178.2996164 CA :: 53.25854938 CB :: 19.29057585 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.160621136 HA :: 4.236157669 HB1 :: 1.396376328 HB2 :: 1.396376328 HB3 :: 1.396376328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7078477 Ave N Shift Values>> N :: 123.23(3.54) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.12 Q 0.09 M 0.09 I 0.07 C Shift Assignments>> C :: 177.0632076 CA :: 57.14749949 CB :: 29.89797655 CG :: 36.22530043 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 :: 8.650738769 HA :: 4.283594504 HB2 :: 1.981070773 HB3 :: 2.061922018 HG2 :: 2.256234751 HG3 :: 2.299634887 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 :: 119.4436441 Ave N Shift Values>> N :: 120.67(3.48) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.8442878 CA :: 62.19963384 CB :: 69.60684904 CG2 :: 21.69935226 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 :: 8.12235556 HA :: 4.308391483 HB :: 4.230621214 HG21 :: 1.187150478 HG22 :: 1.187150478 HG23 :: 1.187150478 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 :: 114.6516645 Ave N Shift Values>> N :: 115.42(4.75) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.1 K 0.1 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 176.8977912 CA :: 56.51319078 CB :: 30.80636015 CG :: 27.17910665 CD :: 43.33342704 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 :: 8.313915261 HA :: 4.329644129 HB2 :: 1.779139176 HB3 :: 1.853642348 HG2 :: 1.598644647 HG3 :: 1.648136429 HD2 :: 3.156560898 HD3 :: 3.170434128 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.594085 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.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 C Shift Assignments>> C :: 174.0256274 CA :: 45.26792202 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.473172858 HA2 :: 3.908995707 HA3 :: 3.961880303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1795594 Ave N Shift Values>> N :: 109.67(3.87) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 HN Overlap>> 1.A38 1.A38 C Shift Assignments>> C :: 178.2591412 CA :: 52.86345661 CB :: 19.24886221 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.245132706 HA :: 4.289825947 HB1 :: 1.380231912 HB2 :: 1.380231912 HB3 :: 1.380231912 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7345609 Ave N Shift Values>> N :: 123.23(3.54) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.16 R 0.04 D 0.01 C Shift Assignments>> C :: 173.5011989 CA :: 44.95723914 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.390423691 HA2 :: 3.893163681 HA3 :: 3.918434381 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7851185 Ave N Shift Values>> N :: 109.67(3.87) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 L 0.22 N 0.21 K 0.07 Y 0.03 R 0.01 C Shift Assignments>> C :: 175.1088828 CA :: 52.23458328 CB :: 41.32689034 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 :: 8.138680357 HA :: 4.835693836 HB2 :: 2.565300941 HB3 :: 2.730083466 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.347821 Ave N Shift Values>> N :: 120.65(3.86) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.24166 CA :: 63.81364314 CB :: 32.04805603 CG :: 27.09412003 CD :: 50.9285202 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 :: 4.295220657 HB2 :: 1.927055356 HB3 :: 2.2865832 HG2 :: 2.008488655 HG3 :: 2.008488655 HD2 :: 3.803978443 HD3 :: 3.892723083 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) N Shift Assignments>> N :: 138.1337706 Ave N Shift Values>> N :: 134.16(6.62) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 178.3168713 CA :: 53.03688432 CB :: 18.69622824 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.358202431 HA :: 4.178400357 HB1 :: 1.324898522 HB2 :: 1.324898522 HB3 :: 1.324898522 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.151018 Ave N Shift Values>> N :: 123.23(3.54) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 C Shift Assignments>> C :: 176.1597717 CA :: 56.61753529 CB :: 30.52957965 CG :: 26.84662021 CD :: 43.32810766 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 :: 7.879199667 HA :: 4.112755336 HB2 :: 1.633195307 HB3 :: 1.633195307 HG2 :: 1.375973313 HG3 :: 1.375973313 HD2 :: 3.075619766 HD3 :: 3.075619766 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.7263047 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.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.4460854 CA :: 57.76310387 CB :: 38.37143137 CD2 :: 133.1172333 CE2 :: 118.1104431 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 :: 7.806578833 HA :: 4.420128223 HB2 :: 2.851854566 HB3 :: 2.984614168 HD1 :: 7.011203289 HD2 :: 7.011203289 HE1 :: 6.75558424 HE2 :: 6.75558424 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.423025 Ave N Shift Values>> N :: 120.52(4.2) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 A 0.05 R 0.04 G 0.02 C Shift Assignments>> C :: 176.6821876 CA :: 54.76440126 CB :: 42.45251248 CG :: 26.66917665 CD1 :: 23.12647653 CD2 :: 24.93223139 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 :: 7.81726997 HA :: 4.288511274 HB2 :: 1.465182549 HB3 :: 1.541634043 HG :: 1.418958489 HD11 :: 0.7495306634 HD12 :: 0.7495306634 HD13 :: 0.7495306634 HD21 :: 0.8037090453 HD22 :: 0.8037090453 HD23 :: 0.8037090453 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 :: 123.0894919 Ave N Shift Values>> N :: 121.86(3.9) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.8342996 CA :: 56.46352818 CB :: 63.3258015 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.080976466 HA :: 4.656313896 HB2 :: 3.820771694 HB3 :: 3.820771694 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 :: 117.7854613 Ave N Shift Values>> N :: 116.28(3.52) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.6243439 CA :: 63.79084015 CB :: 31.90694687 CG :: 27.4091835 CD :: 50.69491577 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 :: 4.397455215 HB2 :: 1.819480284 HB3 :: 2.232934572 HG2 :: 1.987382889 HG3 :: 1.987382889 HD2 :: 3.71807305 HD3 :: 3.8242625 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) N Shift Assignments>> N :: 138.0074493 Ave N Shift Values>> N :: 134.16(6.62) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 C Shift Assignments>> C :: 174.2264048 CA :: 45.2685337 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.448531581 HA2 :: 3.852732821 HA3 :: 3.92444379 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.255962 Ave N Shift Values>> N :: 109.67(3.87) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.926026 CA :: 57.83398121 CB :: 29.49478022 CD1 :: 127.3520584 CE3 :: 120.9357605 CZ2 :: 114.5830612 CZ3 :: 121.9993668 CH2 :: 124.5808868 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 :: 7.9778674 HA :: 4.578348418 HB2 :: 3.299628433 HB3 :: 3.299628433 HD1 :: 7.238420486 HE1 :: 10.12345314 HE3 :: 7.581633091 HZ2 :: 7.467126846 HZ3 :: 7.126364231 HH2 :: 7.209652901 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 :: 121.1793935 NE1 :: 129.3755751 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 R 0.01 C Shift Assignments>> C :: 174.0669597 CA :: 45.38580215 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.263098228 HA2 :: 3.752821669 HA3 :: 3.835240791 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3541573 Ave N Shift Values>> N :: 109.67(3.87) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3810061 CA :: 58.36215186 CB :: 64.02267996 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.069865625 HA :: 4.404568145 HB2 :: 3.835988967 HB3 :: 3.835988967 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 :: 115.6555016 Ave N Shift Values>> N :: 116.28(3.52) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.8017276 CA :: 52.77402652 CB :: 19.23076426 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.41493348 HA :: 4.362077324 HB1 :: 1.394256155 HB2 :: 1.394256155 HB3 :: 1.394256155 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.9548286 Ave N Shift Values>> N :: 123.23(3.54) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6066305 CA :: 58.47877952 CB :: 63.84457669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.259458362 HA :: 4.400572546 HB2 :: 3.815108486 HB3 :: 3.853835123 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 :: 114.9626677 Ave N Shift Values>> N :: 116.28(3.52) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.15 K 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.3055686 CA :: 56.59962291 CB :: 30.29799406 CG :: 36.25691605 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 :: 8.39226338 HA :: 4.27978133 HB2 :: 1.90327039 HB3 :: 2.061577678 HG2 :: 2.228077888 HG3 :: 2.250335217 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 :: 122.5078618 Ave N Shift Values>> N :: 120.67(3.48) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.18 Q 0.09 K 0.07 I 0.03 C Shift Assignments>> C :: 176.1934785 CA :: 56.43934371 CB :: 30.4636155 CG :: 36.21644036 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 :: 8.309007222 HA :: 4.236578927 HB2 :: 1.873346138 HB3 :: 1.997726947 HG2 :: 2.207033961 HG3 :: 2.23745078 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 :: 121.3893428 Ave N Shift Values>> N :: 120.67(3.48) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 Q 0.16 K 0.16 M 0.12 I 0.01 HN Overlap>> 1.R41 1.R41 C Shift Assignments>> C :: 174.6905603 CA :: 54.49053717 CB :: 29.75951626 CG :: 35.90700912 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 :: 8.393384375 HA :: 4.531145096 HB2 :: 1.894772053 HB3 :: 2.009549618 HG2 :: 2.279144049 HG3 :: 2.279144049 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.5472631 Ave N Shift Values>> N :: 120.67(3.48) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.99 C Shift Assignments>> C :: 177.1647971 CA :: 63.54300584 CB :: 32.0781509 CG :: 27.37564821 CD :: 50.71799659 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 :: 4.411727656 HB2 :: 1.893151803 HB3 :: 2.277228554 HG2 :: 1.991332462 HG3 :: 1.991332462 HD2 :: 3.663724755 HD3 :: 3.786752511 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) N Shift Assignments>> N :: 137.6991144 Ave N Shift Values>> N :: 134.16(6.62) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9718817 CA :: 58.71832613 CB :: 63.6590519 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.43602064 HA :: 4.363976168 HB2 :: 3.847959908 HB3 :: 3.893918795 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 :: 115.6575413 Ave N Shift Values>> N :: 116.28(3.52) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 C Shift Assignments>> C :: 176.8228461 CA :: 56.4089616 CB :: 30.62909326 CG :: 27.08958626 CD :: 43.35660553 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 :: 8.356320326 HA :: 4.336507559 HB2 :: 1.754938066 HB3 :: 1.873771071 HG2 :: 1.616730452 HG3 :: 1.634416819 HD2 :: 3.171366692 HD3 :: 3.171366692 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.0416145 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.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G11 1.G11 C Shift Assignments>> C :: 173.8858816 CA :: 45.24065325 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.365886383 HA2 :: 3.908457671 HA3 :: 3.908457671 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4228506 Ave N Shift Values>> N :: 109.67(3.87) 1.H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 175.3334292 CA :: 55.91487122 CB :: 30.27461692 CD2 :: 119.9631729 CE1 :: 137.6134186 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 :: 8.286353326 HA :: 4.696896315 HB2 :: 3.102199197 HB3 :: 3.190387964 HD2 :: 7.102352142 HE1 :: 8.111782074 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.1347277 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S4 1.S4 C Shift Assignments>> C :: 174.9600067 CA :: 58.61493026 CB :: 63.85198762 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.445236826 HA :: 4.454824686 HB2 :: 3.862674713 HB3 :: 3.875981331 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 :: 117.5096618 Ave N Shift Values>> N :: 116.28(3.52) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.3465084 CA :: 45.40855557 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.543325882 HA2 :: 4.035064707 HA3 :: 4.035064707 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0853654 Ave N Shift Values>> N :: 109.67(3.87) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.9029027 CA :: 61.7697518 CB :: 69.98075898 CG2 :: 21.44518436 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 :: 8.154781564 HA :: 4.451726654 HB :: 4.249199968 HG21 :: 1.195080674 HG22 :: 1.195080674 HG23 :: 1.195080674 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.6749244 Ave N Shift Values>> N :: 115.42(4.75) 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 :: 174.3585709 CA :: 61.86231897 CB :: 69.96282019 CG2 :: 21.65320394 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 :: 8.264382729 HA :: 4.353190321 HB :: 4.221738847 HG21 :: 1.198177922 HG22 :: 1.198177922 HG23 :: 1.198177922 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 :: 116.6851314 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 0.88 M 0.1 C Shift Assignments>> C :: 177.7872737 CA :: 52.65294664 CB :: 19.24094301 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.43970911 HA :: 4.352414067 HB1 :: 1.388107744 HB2 :: 1.388107744 HB3 :: 1.388107744 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.9674608 Ave N Shift Values>> N :: 123.23(3.54) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1643882 CA :: 58.48160574 CB :: 63.95500674 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.389636061 HA :: 4.452754498 HB2 :: 3.850008845 HB3 :: 3.901232004 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 :: 115.4793183 Ave N Shift Values>> N :: 116.28(3.52) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.725413 CA :: 45.51066434 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.505550138 HA2 :: 4.00538516 HA3 :: 4.00538516 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1948677 Ave N Shift Values>> N :: 109.67(3.87) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G6 1.G6 C Shift Assignments>> C :: 174.4436909 CA :: 45.24975749 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.330996498 HA2 :: 3.941909847 HA3 :: 3.994725196 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.906076 Ave N Shift Values>> N :: 109.67(3.87) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.11 M 0.11 Q 0.09 I 0.06 C Shift Assignments>> C :: 176.5326976 CA :: 57.04363706 CB :: 30.03953598 CG :: 36.20548845 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 :: 8.544379423 HA :: 4.243028163 HB2 :: 1.925862967 HB3 :: 2.039459044 HG2 :: 2.257781866 HG3 :: 2.257781866 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 :: 120.635222 Ave N Shift Values>> N :: 120.67(3.48) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.28 C Shift Assignments>> C :: 175.1673018 CA :: 53.58116561 CB :: 38.95216322 CG :: 177.1714478 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 :: 8.530837851 HA :: 4.681044688 HB2 :: 2.717477982 HB3 :: 2.832423403 HD21 :: 7.627028942 HD22 :: 6.938944817 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.8894524 ND2 :: 113.3645808 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.13 K 0.1 Q 0.09 I 0.04 C Shift Assignments>> C :: 176.3529262 CA :: 56.77136915 CB :: 30.15981504 CG :: 36.21808243 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 :: 8.344552006 HA :: 4.258613586 HB2 :: 1.962841815 HB3 :: 2.051609516 HG2 :: 2.228789806 HG3 :: 2.253135204 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 :: 121.1551915 Ave N Shift Values>> N :: 120.67(3.48) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 HN Overlap>> 1.E30 1.E30 C Shift Assignments>> C :: 176.3142471 CA :: 56.03699112 CB :: 30.92389679 CG :: 27.04912567 CD :: 43.34568024 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 :: 8.2953201 HA :: 4.328599501 HB2 :: 1.763262256 HB3 :: 1.87173161 HG2 :: 1.610142469 HG3 :: 1.628698111 HD2 :: 3.194329023 HD3 :: 3.194329023 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 :: 121.5794388 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.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.17 Q 0.08 K 0.07 I 0.03 C Shift Assignments>> C :: 176.0954298 CA :: 56.73319712 CB :: 30.45826685 CG :: 36.26455697 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 :: 8.52763804 HA :: 4.264902299 HB2 :: 1.909097281 HB3 :: 2.033724576 HG2 :: 2.221476355 HG3 :: 2.261103734 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 :: 122.3379188 Ave N Shift Values>> N :: 120.67(3.48) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.24 N 0.16 Y 0.08 K 0.08 C Shift Assignments>> C :: 175.9988002 CA :: 54.13094407 CB :: 40.88246987 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 :: 8.467501475 HA :: 4.592728255 HB2 :: 2.600787704 HB3 :: 2.688659606 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1380136 Ave N Shift Values>> N :: 120.65(3.86) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.06 A 0.03 G 0.03 C Shift Assignments>> C :: 177.3807589 CA :: 55.10624062 CB :: 42.52960151 CG :: 26.95708275 CD1 :: 23.32343674 CD2 :: 24.9981823 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 :: 8.112238776 HA :: 4.33229661 HB2 :: 1.586673081 HB3 :: 1.641186774 HG :: 1.603832424 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.912 HD22 :: 0.912 HD23 :: 0.912 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 :: 122.1769528 Ave N Shift Values>> N :: 121.86(3.9) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.13 K 0.1 Q 0.08 I 0.04 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 175.5936694 CA :: 56.68330086 CB :: 30.15323222 CG :: 36.29821438 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 :: 8.37877585 HA :: 4.270382761 HB2 :: 1.935811077 HB3 :: 2.065671546 HG2 :: 2.226619053 HG3 :: 2.281372289 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 :: 122.0328341 Ave N Shift Values>> N :: 120.67(3.48) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 Q 0.42 C Shift Assignments>> C :: 176.2641666 CA :: 57.28532893 CB :: 30.41734392 CG :: 34.77727005 CD :: 181.2608032 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 :: 7.969626329 HA :: 4.149925709 HB2 :: 1.894457102 HB3 :: 2.098588824 HG2 :: 2.276427269 HG3 :: 2.276427269 HE21 :: 6.830902219 HE22 :: 7.568802834 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.4626825 NE2 :: 112.6970647 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 83 #Suspicious: 0 C Shift Results: #Consistent: 318 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 490 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 87 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0